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210 results on '"Air Force Office of Scientific Research (US)"'

1. Absence of 3a0 charge density wave order in the infinite-layer nickelate NdNiO2

Author: Department of Energy (US), Canada Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, National Research Council of Canada, Canadian Institutes of Health Research, Government of Saskatchewan, University of Saskatchewan, Air Force Office of Scientific Research (US), National Science Foundation (US), Gordon and Betty Moore Foundation, Cornell University, David and Lucile Packard Foundation, Agencia Estatal de Investigación (España), Generalitat de Catalunya, Parzyck, Christopher T. [0000-0002-3835-7115], Gupta, Naman K. [0000-0001-8749-4610], Luo, Aileen [0000-0002-0036-5312], Sutarto, Ronny [0000-0002-1969-3690], He, Feizhou [0000-0002-3125-1406], Herranz, Gervasi [0000-0003-4633-4367], Singer, Andrej [0000-0002-2965-9242], Schlom, Darrell G. [0000-0003-2493-6113], Hawthorn, David G. [0000-0002-7002-0416], Shen, Kyle M. [0000-0001-6976-3434], Parzyck, Christopher T., Gupta, Naman K., Wu, Y, Anil, V, Bhatt, L, Bouliane, M, Gong, R, Gregory, B Z, Luo, Aileen, Sutarto, Ronny, He, Feizhou, Chuang, Y-D, Zhou, T, Herranz, Gervasi, Kourkoutis, L F, Singer, Andrej, Schlom, Darrell G., Hawthorn, David G., Shen, Kyle M., Department of Energy (US), Canada Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, National Research Council of Canada, Canadian Institutes of Health Research, Government of Saskatchewan, University of Saskatchewan, Air Force Office of Scientific Research (US), National Science Foundation (US), Gordon and Betty Moore Foundation, Cornell University, David and Lucile Packard Foundation, Agencia Estatal de Investigación (España), Generalitat de Catalunya, Parzyck, Christopher T. [0000-0002-3835-7115], Gupta, Naman K. [0000-0001-8749-4610], Luo, Aileen [0000-0002-0036-5312], Sutarto, Ronny [0000-0002-1969-3690], He, Feizhou [0000-0002-3125-1406], Herranz, Gervasi [0000-0003-4633-4367], Singer, Andrej [0000-0002-2965-9242], Schlom, Darrell G. [0000-0003-2493-6113], Hawthorn, David G. [0000-0002-7002-0416], Shen, Kyle M. [0000-0001-6976-3434], Parzyck, Christopher T., Gupta, Naman K., Wu, Y, Anil, V, Bhatt, L, Bouliane, M, Gong, R, Gregory, B Z, Luo, Aileen, Sutarto, Ronny, He, Feizhou, Chuang, Y-D, Zhou, T, Herranz, Gervasi, Kourkoutis, L F, Singer, Andrej, Schlom, Darrell G., Hawthorn, David G., and Shen, Kyle M.
Abstract: A hallmark of many unconventional superconductors is the presence of many-body interactions that give rise to broken-symmetry states intertwined with superconductivity. Recent resonant soft X-ray scattering experiments report commensurate 3a0 charge density wave order in infinite-layer nickelates, which has important implications regarding the universal interplay between charge order and superconductivity in both cuprates and nickelates. Here we present X-ray scattering and spectroscopy measurements on a series of NdNiO2+x samples, which reveal that the signatures of charge density wave order are absent in fully reduced, single-phase NdNiO2. The 3a0 superlattice peak instead originates from a partially reduced impurity phase where excess apical oxygens form ordered rows with three-unit-cell periodicity. The absence of any observable charge density wave order in NdNiO2 highlights a crucial difference between the phase diagrams of cuprate and nickelate superconductors.
Published: 2024

2. Strong Light-Matter Coupling in Lead Halide Perovskite Quantum Dot Solids

Author: Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Junta de Andalucía, Air Force Office of Scientific Research (US), Office of Naval Research (US), Bujalance, Clara, Calió, Laura, Dirin, Dmitry N., Tiede, David O., Galisteo-López, Juan F., Feist, Johannes, García-Vidal, Francisco J., Kovalenko, Maksym V., Míguez, Hernán, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Junta de Andalucía, Air Force Office of Scientific Research (US), Office of Naval Research (US), Bujalance, Clara, Calió, Laura, Dirin, Dmitry N., Tiede, David O., Galisteo-López, Juan F., Feist, Johannes, García-Vidal, Francisco J., Kovalenko, Maksym V., and Míguez, Hernán
Abstract: Strong coupling between lead halide perovskite materials and optical resonators enables both polaritonic control of the photophysical properties of these emerging semiconductors and the observation of fundamental physical phenomena. However, the difficulty in achieving optical-quality perovskite quantum dot (PQD) films showing well-defined excitonic transitions has prevented the study of strong light-matter coupling in these materials, central to the field of optoelectronics. Herein we demonstrate the formation at room temperature of multiple cavity exciton-polaritons in metallic resonators embedding highly transparent Cesium Lead Bromide quantum dot (CsPbBr3-QD) solids, revealed by a significant reconfiguration of the absorption and emission properties of the system. Our results indicate that the effects of biexciton interaction or large polaron formation, frequently invoked to explain the properties of PQDs, are seemingly absent or compensated by other more conspicuous effects in the CsPbBr3-QD optical cavity. We observe that strong coupling enables a significant reduction of the photoemission line width, as well as the ultrafast modulation of the optical absorption, controllable by means of the excitation fluence. We find that the interplay of the polariton states with the large dark state reservoir plays a decisive role in determining the dynamics of the emission and transient absorption properties of the hybridized light-quantum dot solid system. Our results should serve as the basis for future investigations of PQD solids as polaritonic materials.
Published: 2024

3. Strong light-matter coupling in lead halide perovskite quantum dot solids [Dataset]

Author: Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Junta de Andalucía, Air Force Office of Scientific Research (US), Office of Naval Research (US), Míguez, Hernán [0000-0003-2925-6360], Míguez, Hernán [h.miguez@csic.es], Bujalance, Clara, Calió, Laura, Dirin, Dmitry N., Tiede, David O., Galisteo-López, Juan F., Feist, Johannes, García-Vidal, Francisco J., Kovalenko, Maksym V., Míguez, Hernán, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Junta de Andalucía, Air Force Office of Scientific Research (US), Office of Naval Research (US), Míguez, Hernán [0000-0003-2925-6360], Míguez, Hernán [h.miguez@csic.es], Bujalance, Clara, Calió, Laura, Dirin, Dmitry N., Tiede, David O., Galisteo-López, Juan F., Feist, Johannes, García-Vidal, Francisco J., Kovalenko, Maksym V., and Míguez, Hernán
Abstract: Strong coupling between lead halide perovskite materials and optical resonators enables both the polaritonic control of the photophysical properties of these emerging semiconductors and the observation of novel fundamental physical phenomena. However, the difficulty to achieve optical-quality perovskite quantum dot (PQD) films showing well-defined excitonic transitions has prevented the study of strong light-matter coupling in these materials, central to the field of optoelectronics. Herein we demonstrate the formation at room temperature of multiple cavity exciton-polaritons in metallic resonators embedding highly transparent Cesium Lead Bromide quantum dot (CsPbBr3-QD) solids, revealed by a significant reconfiguration of the absorption and emission properties of the system. Our results indicate that the effects of biexciton interaction or large polaron formation, frequently invoked to explain the properties of PQDs, are seemingly absent or compensated by other more conspicuous effects in the CsPbBr3-QD optical cavity. We observe that strong coupling enables a significant reduction of the photoemission linewidth, as well as the ultrafast modulation of the optical absorption, controllable by means of the excitation fluence. We find that the interplay of the polariton states with the large dark state reservoir play a decisive role in determining the dynamics of the emission and transient absorption properties of the hybridized light-quantum dot solid system. Our results open the route for the investigation of PQD solids as polaritonic optoelectronic materials.
Published: 2024

4. Higher-order correlations reveal complex memory in temporal hypergraphs

Author: Air Force Office of Scientific Research (US), Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Gallo, Luca [0000-0002-2160-8467], Lacasa, Lucas [0000-0003-3057-0357], Latora, Vito [0000-0002-0984-8038], Battiston, Federico [0000-0001-9646-6232], Gallo, Luca, Lacasa, Lucas, Latora, Vito, Battiston, Federico, Air Force Office of Scientific Research (US), Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Gallo, Luca [0000-0002-2160-8467], Lacasa, Lucas [0000-0003-3057-0357], Latora, Vito [0000-0002-0984-8038], Battiston, Federico [0000-0001-9646-6232], Gallo, Luca, Lacasa, Lucas, Latora, Vito, and Battiston, Federico
Abstract: Many real-world complex systems are characterized by interactions in groups that change in time. Current temporal network approaches, however, are unable to describe group dynamics, as they are based on pairwise interactions only. Here, we use time-varying hypergraphs to describe such systems, and we introduce a framework based on higher-order correlations to characterize their temporal organization. The analysis of human interaction data reveals the existence of coherent and interdependent mesoscopic structures, thus capturing aggregation, fragmentation and nucleation processes in social systems. We introduce a model of temporal hypergraphs with non-Markovian group interactions, which reveals complex memory as a fundamental mechanism underlying the emerging pattern in the data.
Published: 2024

5. Synthesis of thin film infinite-layer nickelates by atomic hydrogen reduction: clarifying the role of the capping layer

Author: National Science Foundation (US), Air Force Office of Scientific Research (US), Gordon and Betty Moore Foundation, Cornell University, Agencia Estatal de Investigación (España), Parzyck. Christopher T. [0000-0002-3835-7115], Anil, Vivek [0000-0001-6667-7303], Wu, Yi [0000-0002-2999-1296], Goodge, Berit H. [0000-0003-0948-7698], Roddy, Matthew [0000-0002-5226-1494], Kourkoutis, Lena F. [0000-0002-1303-1362], Schlom, Darrell G. [0000-0003-2493-6113], Shen, Kyle M. [0000-0001-6976-3434], Parzyck. Christopher T., Anil, Vivek, Wu, Yi, Goodge, Berit H., Roddy, Matthew, Kourkoutis, Lena F., Schlom, Darrell G., Shen, Kyle M., National Science Foundation (US), Air Force Office of Scientific Research (US), Gordon and Betty Moore Foundation, Cornell University, Agencia Estatal de Investigación (España), Parzyck. Christopher T. [0000-0002-3835-7115], Anil, Vivek [0000-0001-6667-7303], Wu, Yi [0000-0002-2999-1296], Goodge, Berit H. [0000-0003-0948-7698], Roddy, Matthew [0000-0002-5226-1494], Kourkoutis, Lena F. [0000-0002-1303-1362], Schlom, Darrell G. [0000-0003-2493-6113], Shen, Kyle M. [0000-0001-6976-3434], Parzyck. Christopher T., Anil, Vivek, Wu, Yi, Goodge, Berit H., Roddy, Matthew, Kourkoutis, Lena F., Schlom, Darrell G., and Shen, Kyle M.
Abstract: We present an integrated procedure for the synthesis of infinite-layer nickelates using molecular-beam epitaxy with gas-phase reduction by atomic hydrogen. We first discuss challenges in the growth and characterization of perovskite NdNiO$_3$/SrTiO$_3$, arising from post growth crack formation in stoichiometric films. We then detail a procedure for fully reducing NdNiO$_3$ films to the infinite-layer phase, NdNiO$_2$, using atomic hydrogen; the resulting films display excellent structural quality, smooth surfaces, and lower residual resistivities than films reduced by other methods. We utilize the in situ nature of this technique to investigate of the role that SrTiO$_3$ capping layers play in the reduction process, illustrating their importance in preventing the formation of secondary phases at the exposed nickelate surface. A comparative bulk- and surface-sensitive study indicates formation of a polycrystalline crust on the film surface serves to limit the reduction process.
Published: 2024

6. Deconvolution of JWST/MIRI Images: Applications to an Active Galactic Nucleus Model and GATOS Observations of NGC 5728

Author: Space Telescope Science Institute (US), University of Texas at San Antonio, Ministerio de Ciencia e Innovación (España), Air Force Office of Scientific Research (US), Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), Agencia Nacional de Investigación y Desarrollo (Chile), Ministry of Education, Science and Technological Development (Serbia), Leist, M. T. [0000-0003-4975-2046], Packham, C. [0000-0001-7827-5758], Rosario, D.J.V. [0000-0002-0001-3587], Hope, D. A. [0000-0002-7957-7018], Alonso-Herrero, A. [0000-0001-6794-2519], Hicks, E.K.S. [0000-0002-4457-5733], #NODATA#, Zhang, L. [0000-0003-4937-9077], Davies, R. [0000-0003-4949-7217], Díaz-Santos, T. [0000-0003-0699-6083], González-Martín, O. [0000-0002-2356-8358], Bellocchi, E. [0000-0001-9791-4228], Boorman, P. G. [0000-0001-9379-4716], Combes, F. [0000-0003-2658-7893], García-Bernete, I. [0000-0002-9627-5281], García-Burillo, S. [0000-0003-0444-6897], García-Lorenzo, B. [0000-0002-7228-7173], Ichikawa, K. [0000-0002-4377-903X], Imanishi, M. [0000-0001-6186-8792], Jefferies, S. M. [0000-0002-9580-5615], García-Labiano, Francisco [0000-0002-0690-8824], Levenson, N. A. [0000-0003-4209-639X], Nikutta, R. [0000-0002-7052-6900], Pereira-Santaella, Miguel [0000-0002-4005-9619], Ramos Almeida, C. [0000-0001-8353-649X], Ricci, C. [0000-0001-5231-2645], Rigopoulou, D. [0000-0001-6854-7545], Schaefer, W. [0009-0008-9534-4661], Stalevski, M. [0000-0001-5146-8330], Fuller, L. [0000-0003-4809-6147], Izumi, T. [0000-0001-9452-0813], Shimizu, T. [0000-0002-2125-4670], Leist, M. T., Packham, C., Rosario, D. J.V., Hope, D. A., Alonso-Herrero, A., Hicks, E.K.S., Hönig, S., Zhang, L., Davies, R., Díaz-Santos, T., González-Martín, O., Bellocchi, E., Boorman, P. G., Combes, F., García-Bernete, I., García-Burillo, S., García-Lorenzo, B., Haidar, H., Ichikawa, K., Imanishi, M., Jefferies, S. M., García-Labiano, Francisco, Levenson, N. A., Nikutta, R., Pereira-Santaella, Miguel, Ramos Almeida, C., Ricci, C., Rigopoulou, D., Schaefer, W., Stalevski, M., Ward, M. J., Fuller, L., Izumi, T., Rouan, D., Shimizu, T., Space Telescope Science Institute (US), University of Texas at San Antonio, Ministerio de Ciencia e Innovación (España), Air Force Office of Scientific Research (US), Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), Agencia Nacional de Investigación y Desarrollo (Chile), Ministry of Education, Science and Technological Development (Serbia), Leist, M. T. [0000-0003-4975-2046], Packham, C. [0000-0001-7827-5758], Rosario, D.J.V. [0000-0002-0001-3587], Hope, D. A. [0000-0002-7957-7018], Alonso-Herrero, A. [0000-0001-6794-2519], Hicks, E.K.S. [0000-0002-4457-5733], #NODATA#, Zhang, L. [0000-0003-4937-9077], Davies, R. [0000-0003-4949-7217], Díaz-Santos, T. [0000-0003-0699-6083], González-Martín, O. [0000-0002-2356-8358], Bellocchi, E. [0000-0001-9791-4228], Boorman, P. G. [0000-0001-9379-4716], Combes, F. [0000-0003-2658-7893], García-Bernete, I. [0000-0002-9627-5281], García-Burillo, S. [0000-0003-0444-6897], García-Lorenzo, B. [0000-0002-7228-7173], Ichikawa, K. [0000-0002-4377-903X], Imanishi, M. [0000-0001-6186-8792], Jefferies, S. M. [0000-0002-9580-5615], García-Labiano, Francisco [0000-0002-0690-8824], Levenson, N. A. [0000-0003-4209-639X], Nikutta, R. [0000-0002-7052-6900], Pereira-Santaella, Miguel [0000-0002-4005-9619], Ramos Almeida, C. [0000-0001-8353-649X], Ricci, C. [0000-0001-5231-2645], Rigopoulou, D. [0000-0001-6854-7545], Schaefer, W. [0009-0008-9534-4661], Stalevski, M. [0000-0001-5146-8330], Fuller, L. [0000-0003-4809-6147], Izumi, T. [0000-0001-9452-0813], Shimizu, T. [0000-0002-2125-4670], Leist, M. T., Packham, C., Rosario, D. J.V., Hope, D. A., Alonso-Herrero, A., Hicks, E.K.S., Hönig, S., Zhang, L., Davies, R., Díaz-Santos, T., González-Martín, O., Bellocchi, E., Boorman, P. G., Combes, F., García-Bernete, I., García-Burillo, S., García-Lorenzo, B., Haidar, H., Ichikawa, K., Imanishi, M., Jefferies, S. M., García-Labiano, Francisco, Levenson, N. A., Nikutta, R., Pereira-Santaella, Miguel, Ramos Almeida, C., Ricci, C., Rigopoulou, D., Schaefer, W., Stalevski, M., Ward, M. J., Fuller, L., Izumi, T., Rouan, D., and Shimizu, T.
Abstract: The superb image quality, stability, and sensitivity of JWST permit deconvolution techniques to be pursued with a fidelity unavailable to ground-based observations. We present an assessment of several deconvolution approaches to improve image quality and mitigate the effects of the complex JWST point-spread function (PSF). The optimal deconvolution method is determined by using WebbPSF to simulate JWST’s complex PSF and MIRISim to simulate multiband JWST/Mid-Infrared Imager Module (MIRIM) observations of a toy model of an active galactic nucleus (AGN). Five different deconvolution algorithms are tested: (1) Kraken deconvolution, (2) Richardson–Lucy, (3) the adaptive imaging deconvolution algorithm, (4) sparse regularization with the Condat–Vũ algorithm, and (5) iterative Wiener filtering and thresholding. We find that Kraken affords the greatest FWHM reduction of the nuclear source of our MIRISim observations for the toy AGN model while retaining good photometric integrity across all simulated wave bands. Applying Kraken to Galactic Activity, Torus, and Outflow Survey (GATOS) multiband JWST/MIRIM observations of the Seyfert 2 galaxy NGC 5728, we find that the algorithm reduces the FWHM of the nuclear source by a factor of 1.6–2.2 across all five filters. Kraken images facilitate detection of extended nuclear emission ∼2 5 (∼470 pc, position angle; 115°) in the SE–NW direction, especially at the longest wavelengths. We demonstrate that Kraken is a powerful tool to enhance faint features otherwise hidden in the complex JWST PSF.
Published: 2024

7. Extreme light confinement and control in low-symmetry phonon-polaritonic crystals

Author: Simons Foundation, Air Force Office of Scientific Research (US), Office of Naval Research (US), Max Planck Society, Principado de Asturias, European Research Council, European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Galiffi, Emanuele, Carini, Giulia, Álvarez-Pérez, Gonzalo, Yves, Simon, Renzi, Enrico Maria, Nolen, Ryan, Wasserroth, Sören, Wolf, Martin, Alonso-González, Pablo, Paarmann, Alexander, Alù, Andrea, Simons Foundation, Air Force Office of Scientific Research (US), Office of Naval Research (US), Max Planck Society, Principado de Asturias, European Research Council, European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Galiffi, Emanuele, Carini, Giulia, Álvarez-Pérez, Gonzalo, Yves, Simon, Renzi, Enrico Maria, Nolen, Ryan, Wasserroth, Sören, Wolf, Martin, Alonso-González, Pablo, Paarmann, Alexander, and Alù, Andrea
Abstract: Polaritons are a hybrid class of quasiparticles originating from the strong and resonant coupling between light and matter excitations. Recent years have witnessed a surge of interest in new polariton types, arising from directional, long-lived material resonances, and leading to extreme optical anisotropy that enables new regimes of nanoscale, highly confined light propagation. Although such exotic propagation features may also in principle be achieved by using carefully designed metamaterials, it has recently been realized that they can naturally emerge when coupling infrared light to directional lattice vibrations — phonons — in polar crystals. Interestingly, a reduction in crystal symmetry increases the directionality of optical phonons and the resulting anisotropy of the response, which in turn enables new polaritonic phenomena, such as hyperbolic polaritons with highly directional propagation, ghost polaritons with complex-valued wavevectors, and shear polaritons with strongly asymmetric propagation features. In this Review, we develop a critical overview of recent advances in the discovery of phonon polaritons in low-symmetry crystals, highlighting the role of broken symmetries in dictating the polariton response and associated nanoscale light propagation features. We also discuss emerging opportunities for polaritons in lower-symmetry materials and metamaterials, with connections to topological physics and the possibility of using anisotropic nonlinearities and optical pumping to further control their nanoscale response.
Published: 2024

8. Colloidal quasicrystals engineered with DNA

Author: Air Force Office of Scientific Research (US), Department of Energy (US), National Science Foundation (US), W. M. Keck Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Ministerio de Ciencia e Innovación (España), Zhou, Wenjie, Lim, Yein, Lin, Haixin, Lee, Sangmin, Li, Yuanwei, Huang, Ziyin, Du, Jingshan S., Lee, Byeongdu, Wang, Shunzhi, Sánchez-Iglesias, Ana, Grzelczak, Marek, Liz-Marzán, Luis Manuel, Glotzer, Sharon C., Mirkin, Chad A., Air Force Office of Scientific Research (US), Department of Energy (US), National Science Foundation (US), W. M. Keck Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Ministerio de Ciencia e Innovación (España), Zhou, Wenjie, Lim, Yein, Lin, Haixin, Lee, Sangmin, Li, Yuanwei, Huang, Ziyin, Du, Jingshan S., Lee, Byeongdu, Wang, Shunzhi, Sánchez-Iglesias, Ana, Grzelczak, Marek, Liz-Marzán, Luis Manuel, Glotzer, Sharon C., and Mirkin, Chad A.
Abstract: In principle, designing and synthesizing almost any class of colloidal crystal is possible. Nonetheless, the deliberate and rational formation of colloidal quasicrystals has been difficult to achieve. Here we describe the assembly of colloidal quasicrystals by exploiting the geometry of nanoscale decahedra and the programmable bonding characteristics of DNA immobilized on their facets. This process is enthalpy-driven, works over a range of particle sizes and DNA lengths, and is made possible by the energetic preference of the system to maximize DNA duplex formation and favour facet alignment, generating local five- and six-coordinated motifs. This class of axial structures is defined by a square-triangle tiling with rhombus defects and successive on-average quasiperiodic layers exhibiting stacking disorder which provides the entropy necessary for thermodynamic stability. Taken together, these results establish an engineering milestone in the deliberate design of programmable matter.
Published: 2024

9. Naphthalene-imide Self-assembled Monolayers as a Surface Modification of ITO for Improved Thermal Stability of Perovskite Solar Cells

Author: Australian Centre for Advanced Photovoltaics, Australian Renewable Energy Agency, ARC Centre of Excellence in Exciton Science, Air Force Office of Scientific Research (US), Office of Naval Research (US), Fürer, Sebastian O. [0000-0003-3954-4657], Hora, Yvonne [0000-0001-9858-9180], Wang, Jian [0000-0002-4515-9782], Shi, Yangwei [0000-0002-9014-7422], Barlow, Stephen [0000-0001-9059-9974], Ginger, David S. [0000-0002-9759-5447], Marder, Seth R. [0000-0001-6921-2536], Bach, Udo [0000-0003-2922-4959], Fürer, Sebastian O., Rietwyk, Kevin James, Pulvirenti, Federico, McMeekin, David P., Surmiak, Maciej Adam, Raga, Sonia R., Mao, Wenxin, Lin, Xiongfeng, Hora, Yvonne, Wang, Jian, Shi, Yangwei, Barlow, Stephen, Ginger, David S., Marder, Seth R., Bach, Udo, Australian Centre for Advanced Photovoltaics, Australian Renewable Energy Agency, ARC Centre of Excellence in Exciton Science, Air Force Office of Scientific Research (US), Office of Naval Research (US), Fürer, Sebastian O. [0000-0003-3954-4657], Hora, Yvonne [0000-0001-9858-9180], Wang, Jian [0000-0002-4515-9782], Shi, Yangwei [0000-0002-9014-7422], Barlow, Stephen [0000-0001-9059-9974], Ginger, David S. [0000-0002-9759-5447], Marder, Seth R. [0000-0001-6921-2536], Bach, Udo [0000-0003-2922-4959], Fürer, Sebastian O., Rietwyk, Kevin James, Pulvirenti, Federico, McMeekin, David P., Surmiak, Maciej Adam, Raga, Sonia R., Mao, Wenxin, Lin, Xiongfeng, Hora, Yvonne, Wang, Jian, Shi, Yangwei, Barlow, Stephen, Ginger, David S., Marder, Seth R., and Bach, Udo
Abstract: Electron-transport-layer-free (ETL-free) perovskite solar cells (PSCs) show great promise for commercialization due to their simple design and ease of fabrication. However, the interface between the transparent conductive oxides such as indium-doped tin oxide (ITO) and the perovskite is not optimal due to differences in their work functions, surface defects, and wettability of the substrates. Surface modification of ITO through self-assembled monolayers (SAMs) to get ITO/SAM charge selective layers has shown great improvement in device performance in recent years, but little emphasis has been put on the stability of these devices. Here, we address this gap by introducing a series of newly synthesized naphthalene-imide derivatives which self-assemble at the interface between ITO and the perovskite interface and study their impact on the thermal stability of triple-cation PSCs. The chemical and thermal stabilities of the naphthalene-imide SAMs help improve the thermal stability of the devices, reaching T80 lifetimes exceeding 800 h for devices containing a pyridine-functionalized naphthalene diimide carboxylic acid at 85 °C in air. In addition, all SAMs improve the stabilized power output of the devices with respect to ITO-only reference devices. Drift-diffusion simulations reveal the strong influence of the ITO work function on the efficiency in ETL-free devices, and a work function reduction of 0.2 eV could improve efficiencies by over 30%. The functional diversity of naphthalene imides coupled with the ease of SAM deposition opens a pathway for stable, high-performing PSCs based on electron selective monolayers.
Published: 2023

10. Excitons and their fine structure in lead halide Perovskite nanocrystals from atomistic GW/BSE calculations

Author: European Commission, Air Force Office of Scientific Research (US), National Institutes of Health (US), Simons Foundation, Flatiron Institute, Empire State Development, New York, Columbia University, Biffi, Giulia, Cho, Yeongsu, Krahne, Roman, Berkelbach, Timothy C., European Commission, Air Force Office of Scientific Research (US), National Institutes of Health (US), Simons Foundation, Flatiron Institute, Empire State Development, New York, Columbia University, Biffi, Giulia, Cho, Yeongsu, Krahne, Roman, and Berkelbach, Timothy C.
Abstract: Atomistically detailed computational studies of nanocrystals, such as those derived from the promising lead-halide perovskites, are challenging due to the large number of atoms and lack of symmetries to exploit. Here, focusing on methylammonium lead iodide nanocrystals, we combine a real-space tight binding model with the GW approximation to the self-energy and obtain exciton wave functions and absorption spectra via solutions of the associated Bethe–Salpeter equation. We find that the size dependence of carrier confinement, dielectric contrast, electron–hole exchange, and exciton binding energies has a strong impact on the lowest excitation energy, which can be tuned by almost 1 eV over the diameter range of 2–6 nm. Our calculated excitation energies are about 0.2 eV higher than experimentally measured photoluminescence, and they display the same qualitative size dependence. Focusing on the fine structure of the band-edge excitons, we find that the lowest-lying exciton is spectroscopically dark and about 20–30 meV lower in energy than the higher-lying triplet of the bright states whose degeneracy is slightly broken by crystal field effects.
Published: 2023

11. Complex systems in the spotlight: next steps after the 2021 Nobel Prize in Physics

Author: Royal Society (UK), European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), National Science Foundation (US), Slovenian Research Agency, Generalitat de Catalunya, Air Force Office of Scientific Research (US), Bianconi, Ginestra, Arenas, Alex, Biamonte, Jacob, Carr, Lincoln D., Kahng, Byungnam, Kertesz, Janos, Kurths, Jürgen, Lü, Linyuan, Masoller, Cristina, Motter, Adilson E., Perc, Matjaž, Radicchi, Filippo, Ramaswamy, Ramakrishna, Rodrigues, Francisco A., Sales-Pardo, Marta, San Miguel, Maxi, Thurner, Stefan, Yasseri, Taha, Royal Society (UK), European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), National Science Foundation (US), Slovenian Research Agency, Generalitat de Catalunya, Air Force Office of Scientific Research (US), Bianconi, Ginestra, Arenas, Alex, Biamonte, Jacob, Carr, Lincoln D., Kahng, Byungnam, Kertesz, Janos, Kurths, Jürgen, Lü, Linyuan, Masoller, Cristina, Motter, Adilson E., Perc, Matjaž, Radicchi, Filippo, Ramaswamy, Ramakrishna, Rodrigues, Francisco A., Sales-Pardo, Marta, San Miguel, Maxi, Thurner, Stefan, and Yasseri, Taha
Abstract: The 2021 Nobel Prize in Physics recognized the fundamental role of complex systems in the natural sciences. In order to celebrate this milestone, this editorial presents the point of view of the editorial board of JPhys Complexity on the achievements, challenges, and future prospects of the field. To distinguish the voice and the opinion of each editor, this editorial consists of a series of editor perspectives and reflections on few selected themes. A comprehensive and multi-faceted view of the field of complexity science emerges. We hope and trust that this open discussion will be of inspiration for future research on complex systems.
Published: 2023

12. The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Author: Fundación la Caixa, European Commission, Ministerio de Ciencia e Innovación (España), Department of Energy (US), Swiss National Science Foundation, Ministero dell'Istruzione, dell'Università e della Ricerca, Carl Trygger Foundation, Royal Society (UK), Independent Research Fund Denmark, German Research Foundation, Generalitat de Catalunya, Olle Engkvist Foundation, National Centre for Research and Development (Poland), National Science Foundation (US), Academy of Finland, Knut and Alice Wallenberg Foundation, Swedish Research Council, Université de Nantes, Japan Society for the Promotion of Science, Università degli Studi di Siena, Novo Nordisk Foundation, Argonne National Laboratory (US), National University of Singapore, Air Force Office of Scientific Research (US), Linköping University, Centre National de la Recherche Scientifique (France), Li Manni, Giovanni [0000-0002-3666-3880], Fdez Galván, Ignacio [0000-0002-0684-7689], #NODATA#, Aleotti, Flavia [0000-0002-7176-5305], Aquilante, Francesco [0000-0003-4422-3938], Autschbach, Jochen [0000-0001-9392-877X], Avagliano, Davide [0000-0001-5539-9731], Baiardi, Alberto [0000-0001-9112-8664], Bao, Jie J. [0000-0003-0197-3405], Battaglia, Stefano [0000-0002-5082-2681], Blanco-González, Alejandro [0000-0001-7379-2588], Bokarev, Sergey I. [0000-0003-0779-5013], Broer, Ria [0000-0002-5437-9509], Cacciari, Roberto [0000-0001-8290-4297], Calio, Paul B. [0000-0001-8385-2628], Carlson, Rebecca K. [0000-0002-1710-5816], Carvalho Couto, Rafael [0000-0003-4020-0923], Cerdán, L. [0000-0002-7174-2453], Chibotaru, Liviu F. [0000-0003-1556-0812], Chilton, Nicholas F. [0000-0002-8604-0171], Church, Jonathan Richard [0000-0001-5986-1305], Conti, Irene [0000-0001-7982-4480], Coriani, Sonia [0000-0002-4487-897X], Cuéllar-Zuquin, Juliana [0000-0002-0127-579X], Daoud, Razan E. [0000-0001-7034-0770], Dattani, Nike [0000-0001-5667-3632], Decleva, Piero [0000-0002-7322-887X], de Graaf, Coen [0000-0001-8114-6658], Delcey, Mickaël G. [0000-0001-9883-3569], De Vico, Luca [0000-0002-2821-5711], Dobrautz, Werner [0000-0001-6479-1874], Dong, Sijia S. [0000-0001-8182-6522], Feng, Rulin [0000-0002-9812-3804], Ferré, Nicolas [0000-0002-5583-8834], Filatov Gulak, Michael [0000-0002-1541-739X], Gagliardi, Laura [0000-0001-5227-1396], Garavelli, Marco [0000-0002-0796-289X], González, Leticia [0000-0001-5112-794X], Guo, Meiyuan [0000-0003-2474-6264], Hennefarth, Matthew R. [0000-0002-6601-2253], Hermes, Matthew R. [0000-0001-7807-2950], Huix-Rotllant, Miquel [0000-0002-2131-7328], Jaiswal, Vishal Kumar [0000-0002-5090-7984], Kaliakin, Danil S. [0000-0002-9354-8248], King, Daniel S. [0000-0003-0208-5274], Larsson, Ernst D. [0000-0001-7655-2993], Lehtola, Susi [0000-0001-6296-8103], Lepetit, Marie-Bernadette [0000-0001-8730-4282], Lischka, Hans [0000-0002-5656-3975], Lundberg, Marcus [0000-0002-1312-1202], Mai, Sebastian [0000-0001-5327-8880], Marquetand, Philipp [0000-0002-8711-1533], Merritt, Isabella C. D. [0000-0002-7965-7798], Nenov, Artur [0000-0003-3071-5341], Nguyen, Vu Ha Anh [0000-0002-4177-0656], Nishimoto, Yoshio [0000-0001-5581-4712], Oakley, Meagan S. [0000-0001-5072-7572], Olivucci, Massimo [0000-0002-8247-209X], Oppel, Markus [0000-0001-6363-2310], Padula, Daniele [0000-0002-7171-7928], Pandharkar, Riddhish [0000-0003-4086-4308], Phung, Quan Manh [0000-0001-8205-5328], Plasser, Felix [0000-0003-0751-148X], Reiher, Markus [0000-0002-9508-1565], Rivalta, Ivan [0000-0002-1208-602X], Roca-Sanjuán, Daniel [0000-0001-6495-2770], Romig, Thies [0000-0002-9424-2398], Safari, Arta Anushirwan [0000-0003-4511-8902], Sánchez-Mansilla, Aitor [0000-0002-2601-190X], Sand, Andrew M. [0000-0002-7166-2066], Schapiro, Igor [0000-0001-8536-6869], Scott, Thais R. [0000-0002-5746-5517], Segarra-Martí, Javier [0000-0002-2076-3406], Segatta, Francesco [0000-0003-4150-6676], Sergentu, Dumitru-Claudiu [0000-0001-6570-5245], Shepard, Ron [0000-0002-0272-0824], Shu, Yinan [0000-0002-8371-0221], Sørensen, Lasse Kragh [0000-0002-1931-1867], Tenorio, Bruno Nunes Cabral [0000-0002-9702-998X], Truhlar, Donald G. [0000-0002-7742-7294], Ungur, Liviu [0000-0001-5015-4225], Vacher, Morgane [0000-0001-9418-6579], Veryazov, Valera [0000-0002-0172-7047], Li Manni, Giovanni, Fdez Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, L., Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov Gulak, Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J Patrick, Lindh, Roland, Fundación la Caixa, European Commission, Ministerio de Ciencia e Innovación (España), Department of Energy (US), Swiss National Science Foundation, Ministero dell'Istruzione, dell'Università e della Ricerca, Carl Trygger Foundation, Royal Society (UK), Independent Research Fund Denmark, German Research Foundation, Generalitat de Catalunya, Olle Engkvist Foundation, National Centre for Research and Development (Poland), National Science Foundation (US), Academy of Finland, Knut and Alice Wallenberg Foundation, Swedish Research Council, Université de Nantes, Japan Society for the Promotion of Science, Università degli Studi di Siena, Novo Nordisk Foundation, Argonne National Laboratory (US), National University of Singapore, Air Force Office of Scientific Research (US), Linköping University, Centre National de la Recherche Scientifique (France), Li Manni, Giovanni [0000-0002-3666-3880], Fdez Galván, Ignacio [0000-0002-0684-7689], #NODATA#, Aleotti, Flavia [0000-0002-7176-5305], Aquilante, Francesco [0000-0003-4422-3938], Autschbach, Jochen [0000-0001-9392-877X], Avagliano, Davide [0000-0001-5539-9731], Baiardi, Alberto [0000-0001-9112-8664], Bao, Jie J. [0000-0003-0197-3405], Battaglia, Stefano [0000-0002-5082-2681], Blanco-González, Alejandro [0000-0001-7379-2588], Bokarev, Sergey I. [0000-0003-0779-5013], Broer, Ria [0000-0002-5437-9509], Cacciari, Roberto [0000-0001-8290-4297], Calio, Paul B. [0000-0001-8385-2628], Carlson, Rebecca K. [0000-0002-1710-5816], Carvalho Couto, Rafael [0000-0003-4020-0923], Cerdán, L. [0000-0002-7174-2453], Chibotaru, Liviu F. [0000-0003-1556-0812], Chilton, Nicholas F. [0000-0002-8604-0171], Church, Jonathan Richard [0000-0001-5986-1305], Conti, Irene [0000-0001-7982-4480], Coriani, Sonia [0000-0002-4487-897X], Cuéllar-Zuquin, Juliana [0000-0002-0127-579X], Daoud, Razan E. [0000-0001-7034-0770], Dattani, Nike [0000-0001-5667-3632], Decleva, Piero [0000-0002-7322-887X], de Graaf, Coen [0000-0001-8114-6658], Delcey, Mickaël G. [0000-0001-9883-3569], De Vico, Luca [0000-0002-2821-5711], Dobrautz, Werner [0000-0001-6479-1874], Dong, Sijia S. [0000-0001-8182-6522], Feng, Rulin [0000-0002-9812-3804], Ferré, Nicolas [0000-0002-5583-8834], Filatov Gulak, Michael [0000-0002-1541-739X], Gagliardi, Laura [0000-0001-5227-1396], Garavelli, Marco [0000-0002-0796-289X], González, Leticia [0000-0001-5112-794X], Guo, Meiyuan [0000-0003-2474-6264], Hennefarth, Matthew R. [0000-0002-6601-2253], Hermes, Matthew R. [0000-0001-7807-2950], Huix-Rotllant, Miquel [0000-0002-2131-7328], Jaiswal, Vishal Kumar [0000-0002-5090-7984], Kaliakin, Danil S. [0000-0002-9354-8248], King, Daniel S. [0000-0003-0208-5274], Larsson, Ernst D. [0000-0001-7655-2993], Lehtola, Susi [0000-0001-6296-8103], Lepetit, Marie-Bernadette [0000-0001-8730-4282], Lischka, Hans [0000-0002-5656-3975], Lundberg, Marcus [0000-0002-1312-1202], Mai, Sebastian [0000-0001-5327-8880], Marquetand, Philipp [0000-0002-8711-1533], Merritt, Isabella C. D. [0000-0002-7965-7798], Nenov, Artur [0000-0003-3071-5341], Nguyen, Vu Ha Anh [0000-0002-4177-0656], Nishimoto, Yoshio [0000-0001-5581-4712], Oakley, Meagan S. [0000-0001-5072-7572], Olivucci, Massimo [0000-0002-8247-209X], Oppel, Markus [0000-0001-6363-2310], Padula, Daniele [0000-0002-7171-7928], Pandharkar, Riddhish [0000-0003-4086-4308], Phung, Quan Manh [0000-0001-8205-5328], Plasser, Felix [0000-0003-0751-148X], Reiher, Markus [0000-0002-9508-1565], Rivalta, Ivan [0000-0002-1208-602X], Roca-Sanjuán, Daniel [0000-0001-6495-2770], Romig, Thies [0000-0002-9424-2398], Safari, Arta Anushirwan [0000-0003-4511-8902], Sánchez-Mansilla, Aitor [0000-0002-2601-190X], Sand, Andrew M. [0000-0002-7166-2066], Schapiro, Igor [0000-0001-8536-6869], Scott, Thais R. [0000-0002-5746-5517], Segarra-Martí, Javier [0000-0002-2076-3406], Segatta, Francesco [0000-0003-4150-6676], Sergentu, Dumitru-Claudiu [0000-0001-6570-5245], Shepard, Ron [0000-0002-0272-0824], Shu, Yinan [0000-0002-8371-0221], Sørensen, Lasse Kragh [0000-0002-1931-1867], Tenorio, Bruno Nunes Cabral [0000-0002-9702-998X], Truhlar, Donald G. [0000-0002-7742-7294], Ungur, Liviu [0000-0001-5015-4225], Vacher, Morgane [0000-0001-9418-6579], Veryazov, Valera [0000-0002-0172-7047], Li Manni, Giovanni, Fdez Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, L., Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov Gulak, Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J Patrick, and Lindh, Roland
Abstract: The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report offers an overview of the chemical phenomena and processes OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations.
Published: 2023

13. Energy transfer in N-component nanosystems enhanced by pulse-driven vibronic many-body entanglement

Author: European Commission, Ministerio de Ciencia e Innovación (España), Universidad de Los Andes (Colombia), Air Force Office of Scientific Research (US), #NODATA#, Gómez-Ruiz, Fernando Javier, Acevedo, Oscar L., Rodríguez, Ferney J., Quiroga, Luis, Johnson, Neil F., European Commission, Ministerio de Ciencia e Innovación (España), Universidad de Los Andes (Colombia), Air Force Office of Scientific Research (US), #NODATA#, Gómez-Ruiz, Fernando Javier, Acevedo, Oscar L., Rodríguez, Ferney J., Quiroga, Luis, and Johnson, Neil F.
Abstract: The processing of energy by transfer and redistribution, plays a key role in the evolution of dynamical systems. At the ultrasmall and ultrafast scale of nanosystems, quantum coherence could in principle also play a role and has been reported in many pulse-driven nanosystems (e.g. quantum dots and even the microscopic Light-Harvesting Complex II (LHC-II) aggregate). Typical theoretical analyses cannot easily be scaled to describe these general N-component nanosystems; they do not treat the pulse dynamically; and they approximate memory effects. Here our aim is to shed light on what new physics might arise beyond these approximations. We adopt a purposely minimal model such that the time-dependence of the pulse is included explicitly in the Hamiltonian. This simple model generates complex dynamics: specifically, pulses of intermediate duration generate highly entangled vibronic (i.e. electronic-vibrational) states that spread multiple excitons - and hence energy - maximally within the system. Subsequent pulses can then act on such entangled states to efficiently channel subsequent energy capture. The underlying pulse-generated vibronic entanglement increases in strength and robustness as N increases.
Published: 2023

14. Augmented probability simulation methods for sequential games

Author: Ministerio de Economía, Industria y Competitividad (España), Ministerio de Educación (España), AXA Research Fund, Air Force Office of Scientific Research (US), European Commission, 0000-0001-9032-2465, 0000-0002-5748-9658, 0000-0003-2716-0314, Ekin, Tahir, Naveiro, Roi, Ríos Insua, David, Torres-Barrán, Alberto, Ministerio de Economía, Industria y Competitividad (España), Ministerio de Educación (España), AXA Research Fund, Air Force Office of Scientific Research (US), European Commission, 0000-0001-9032-2465, 0000-0002-5748-9658, 0000-0003-2716-0314, Ekin, Tahir, Naveiro, Roi, Ríos Insua, David, and Torres-Barrán, Alberto
Abstract: We present a robust framework with computational algorithms to support decision makers in sequential games. Our framework includes methods to solve games with complete information, assess the robustness of such solutions and, finally, approximate adversarial risk analysis solutions when lacking complete information. Existing simulation based approaches can be inefficient when dealing with large sets of feasible decisions; the game of interest may not even be solvable to the desired precision for continuous decisions. Hence, we provide a novel alternative solution method based on the use of augmented probability simulation. While the proposed framework conceptually applies to multi-stage sequential games, the discussion focuses on two-stage sequential defend-attack problems.
Published: 2023

15. Spontaneous Interconversion between Different Narrowly Defined Shapes of Rotavirus Double-Layered Particles Studied in Real Time by High-Resolution Mobility Analysis

Author: European Commission, Air Force Office of Scientific Research (US), Fernández de la Mora, Juan, Almazán, Fernando, Rodríguez, Javier M., European Commission, Air Force Office of Scientific Research (US), Fernández de la Mora, Juan, Almazán, Fernando, and Rodríguez, Javier M.
Abstract: Rotavirus double-layered particles (DLPs) are studied in the gas phase with a high-resolution differential mobility analyzer (DMA). DLPs were transferred to 10 mM aqueous ammonium acetate, electrosprayed into the gas phase, converted into primarily singly charged particles, and DMA-analyzed. Up to seven slightly different conformations were resolved, whose apparently random, fast (minutes), and reversible interconversions were followed in real time. They sometimes evolved into just two distinct structures, with periods of one dominating over the other and vice versa. Differences between the DLP structures in solution and in the gas phase are clearly revealed by the smaller DLP diameter found here (60 versus 70 nm). Nevertheless, we argue that the multiple gas-phase conformers observed originate in as many conformations pre-existing in solution. We further hypothesize that these conformers correspond to incomplete DLPs having lost some of the VP6 trimer quintets surrounding each of the 12 5-fold axes. Instances of this peculiar loss have been previously documented by cryoelectron microscopy for the rotavirus Wa strain, as well as via charge detection mass spectrometry for five other rotavirus strains included in the RotaTec vaccine. Evidence of this loss systematically found for all 7 rotavirus types so far studied in aqueous ammonium acetate may be a special feature of this electrolyte.
Published: 2023

16. A high resolution differential mobility analyzer for the study of large virus particles

Author: European Commission, Air Force Office of Scientific Research (US), Fernández de la Mora, Juan [0000-0002-9077-2877], Pérez-Lorenzo, Luis J. [0000-0002-3473-2846], Almazán, Fernando [0000-0002-5752-8469], Rodríguez, Javier M. [0000-0003-0146-9903], Fernández de la Mora, Juan, Pérez-Lorenzo, Luis J., Almazán, Fernando, Rodríguez, Javier M., European Commission, Air Force Office of Scientific Research (US), Fernández de la Mora, Juan [0000-0002-9077-2877], Pérez-Lorenzo, Luis J. [0000-0002-3473-2846], Almazán, Fernando [0000-0002-5752-8469], Rodríguez, Javier M. [0000-0003-0146-9903], Fernández de la Mora, Juan, Pérez-Lorenzo, Luis J., Almazán, Fernando, and Rodríguez, Javier M.
Abstract: The conical inner electrode of a recently described differential mobility analyzer (DMA), covering at resolution >50 the size range up to 60 nm, has been modified by increasing its radius at the outlet slit from 1 cm to 1.6 cm, and decreasing its convergence angle from 3° to 0.5°. The cylindrical outer electrode radius is maintained at 2 cm, while other critical dimensions are only slightly modified. The classification voltage for fixed flow rate of sheath gas and particle diameter decreases almost fourfold, extending the size range theoretically spanned at high resolution well beyond 120 nm. Tests with multiply charged polystyrene latex spheres 200 nm in diameter confirm the actual ability to cover this wide size range. A resolution above 100 (with no corrections for instrument or particle nonidealities) is demonstrated with rotavirus double-layered particles (DLPs), whose mobility diameter is found to be near 60 nm. The DLP has several configurations that complicate its use for DMA characterization, but occasionally presents mainly one conformer, with singularly narrow relative mobility width FWHM < 1/150. Two broad range instruments with slightly different axial lengths have been developed and tested, both reaching resolving powers of 100. Copyright © 2023 American Association for Aerosol Research.
Published: 2023

17. In vivo neuromodulation of animal behavior with organic semiconducting oligomers

Author: Air Force Office of Scientific Research (US), European Commission, European Research Council, Linköping University, Tommasini, Giuseppina, De Simone, Mariarosaria, Santillo, Silvia, Dufil, Gwennaël, Iencharelli, Marika, Mantione, Daniele, Stavrinidou, Eleni, Tino, Angela, Tortiglione, Claudia, Air Force Office of Scientific Research (US), European Commission, European Research Council, Linköping University, Tommasini, Giuseppina, De Simone, Mariarosaria, Santillo, Silvia, Dufil, Gwennaël, Iencharelli, Marika, Mantione, Daniele, Stavrinidou, Eleni, Tino, Angela, and Tortiglione, Claudia
Abstract: Modulating neural activity with electrical or chemical stimulus can be used for fundamental and applied research. Typically, neuronal stimulation is performed with intracellular and extracellular electrodes that deliver brief electrical pulses to neurons. However, alternative wireless methodologies based on functional materials may allow clinical translation of technologies to modulate neuronal function. Here, we show that the organic semiconducting oligomer 4-[2-{2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-3-yl}ethoxy]butane-1-sulfonate (ETE-S) induces precise behaviors in the small invertebrate Hydra, which were dissected through pharmacological and electrophysiological approaches. ETE-S-induced behavioral response relies on the presence of head neurons and calcium ions and is prevented by drugs targeting ionotropic channels and muscle contraction. Moreover, ETE-S affects Hydra's electrical activity enhancing the contraction burst frequency. The unexpected neuromodulatory function played by this conjugated oligomer on a simple nerve net opens intriguing research possibilities on fundamental chemical and physical phenomena behind organic bioelectronic interfaces for neuromodulation and on alternative methods that could catalyze a wide expansion of this rising technology for clinical applications.
Published: 2023

18. Ubiquitous superconducting diode effect in superconductor thin films

Author: Air Force Office of Scientific Research (US), Office of Naval Research (US), National Science Foundation (US), US Army Research Office, European Commission, European Research Council, Alexander von Humboldt Foundation, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Department of Energy (US), Hou, Yasen, Nichele, Fabrizio, Chi, Hang, Lodesani, Alessandro, Wu, Yingying, Ritter, Markus F., Haxell, Daniel Z., Davydova, Margarita, Ilić, Stefan, Glezakou-Elbert, Ourania, Varambally, Amith, Bergeret, F. S., Kamra, Akashdeep, Fu, Liang, Lee, Patrick A., Moodera, J. S., Air Force Office of Scientific Research (US), Office of Naval Research (US), National Science Foundation (US), US Army Research Office, European Commission, European Research Council, Alexander von Humboldt Foundation, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Department of Energy (US), Hou, Yasen, Nichele, Fabrizio, Chi, Hang, Lodesani, Alessandro, Wu, Yingying, Ritter, Markus F., Haxell, Daniel Z., Davydova, Margarita, Ilić, Stefan, Glezakou-Elbert, Ourania, Varambally, Amith, Bergeret, F. S., Kamra, Akashdeep, Fu, Liang, Lee, Patrick A., and Moodera, J. S.
Abstract: The macroscopic coherence in superconductors supports dissipationless supercurrents that could play a central role in emerging quantum technologies. Accomplishing unequal supercurrents in the forward and backward directions would enable unprecedented functionalities. This nonreciprocity of critical supercurrents is called the superconducting (SC) diode effect. We demonstrate the strong SC diode effect in conventional SC thin films, such as niobium and vanadium, employing external magnetic fields as small as 1 Oe. Interfacing the SC layer with a ferromagnetic semiconductor EuS, we further accomplish the nonvolatile SC diode effect reaching a giant efficiency of 65%. By careful control experiments and theoretical modeling, we demonstrate that the critical supercurrent nonreciprocity in SC thin films could be easily accomplished with asymmetrical vortex edge and surface barriers and the universal Meissner screening current governing the critical currents. Our engineering of the SC diode effect in simple systems opens the door for novel technologies while revealing the ubiquity of the Meissner screening effect induced SC diode effect in superconducting films, and it should be eliminated with great care in the search for exotic superconducting states harboring finite-momentum Cooper pairing.
Published: 2023

19. Higher-order correlations reveal complex memory in temporal hypergraphs

Author: Air Force Office of Scientific Research (US), Agencia Estatal de Investigación (España), Ministerio de Ciencia e Innovación (España), Lacasa, Lucas [0000-0003-3057-0357], Gallo, Luca, Lacasa, Lucas, Latora, Vito, Battiston, Federico, Air Force Office of Scientific Research (US), Agencia Estatal de Investigación (España), Ministerio de Ciencia e Innovación (España), Lacasa, Lucas [0000-0003-3057-0357], Gallo, Luca, Lacasa, Lucas, Latora, Vito, and Battiston, Federico
Abstract: Many real-world complex systems are characterized by interactions in groups that change in time. Current temporal network approaches, however, are unable to describe group dynamics, as they are based on pairwise interactions only. Here, we use time-varying hypergraphs to describe such systems, and we introduce a framework based on higher-order correlations to characterize their temporal organization. We analyze various social systems, finding that groups of different sizes have typical patterns of long-range temporal correlations. Moreover, our method reveals the presence of non-trivial temporal interdependencies between different group sizes. We introduce a model of temporal hypergraphs with non-Markovian group interactions, which reveals complex memory as a fundamental mechanism underlying the pattern in the data.
Published: 2023

20. Review on magnetocaloric high-entropy alloys: Design and analysis methods

Author: Junta de Andalucía, Universidad de Sevilla, Air Force Office of Scientific Research (US), Law, Jia Yan, Franco, Victorino, Junta de Andalucía, Universidad de Sevilla, Air Force Office of Scientific Research (US), Law, Jia Yan, and Franco, Victorino
Abstract: The search for high-performance functional alloys with improved service life and reliability entails the optimization of their mechanical properties. Recently, the high-entropy alloy (HEA) design concept has found new alloys with excellent mechanical properties. It utilizes multiprincipal elements to yield high configurational entropy of mixing, entailing a large compositional freedom with wide window of opportunities for property exploration. Their functional properties are usually modest when compared to conventional materials. The discovery of HEAs with optimal combination of mechanical and functional properties would be a leap forward in the reliability of functional devices. This review article focuses on magnetocaloric HEAs, the design approaches, and the appropriate analysis methods for their performance. We will highlight the efficient strategic search within the vast HEA space, which has been instrumental for significantly enhancing MCE performance, closing the pre-existing gap between magnetocaloric HEAs and high-performance conventional magnetocaloric materials. Outlook for future directions will also be included. Graphical abstract: [Figure not available: see fulltext.]
Published: 2023

21. All-d-metal Ni(Co)-Mn(X)-Ti (X = Fe or Cr) Heusler alloys: Enhanced magnetocaloric effect for moderate magnetic fields

Author: European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), Universidad de Sevilla, Díaz-García, A. [0000-0002-1400-5748], Law, Jia Yan [0000-0002-1431-6773], Franco,V. [0000-0003-3028-6815], Khan, A. N., Moreno-Ramírez, L. M., Díaz-García, A., Law, Jia Yan, Franco,V., European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), Universidad de Sevilla, Díaz-García, A. [0000-0002-1400-5748], Law, Jia Yan [0000-0002-1431-6773], Franco,V. [0000-0003-3028-6815], Khan, A. N., Moreno-Ramírez, L. M., Díaz-García, A., Law, Jia Yan, and Franco,V.
Abstract: All-d-metal Ni(Co)-Mn-Ti Heusler alloys show high magnetocaloric/barocaloric effects ascribed to the occurrence of a martensitic transformation together with excellent mechanical properties. However, high magnetic fields are needed to fully drive the transformation and to obtain their maximum responses. To further tune the martensitic transition and the associated magnetocaloric response, we systematically investigate the role of partial Mn substitution by Fe or Cr on the parent composition Ni36Co14Mn35Ti15. On the one hand, Cr doping increases the entropy change of the transformation but causes a tighter overlap of both martensitic and Curie transitions. This significantly reduces the magnetization difference between austenite and martensite and, consequently, strongly decreases the magnetocaloric response. On the other hand, Fe doping reduces the entropy change of the transformation and separates both martensitic and Curie transitions while keeping the magnetization difference among both phases. These two combined features reduce the magnetic field needed to completely drive the martensitic transformation and leads to higher and broader isothermal entropy change peaks for moderate magnetic field changes, reaching up to 25% enhancement for 2 T when compared to the undoped alloy.
Published: 2023

22. First-order phase transition in high-performance La(Fe,Mn,Si)13H despite negligible hysteresis

Author: European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), Law, J. Y.[0000-0002-1431-6773], Greneche, J.M.[0000-0001-7309-8633], Franco, V.[0000-0003-3028-6815], Moreno-Ramírez, L. M., Law, Jia Yan, Borrego, J. M., Barcza, A., Greneche, J.M., Franco, V., European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), Law, J. Y.[0000-0002-1431-6773], Greneche, J.M.[0000-0001-7309-8633], Franco, V.[0000-0003-3028-6815], Moreno-Ramírez, L. M., Law, Jia Yan, Borrego, J. M., Barcza, A., Greneche, J.M., and Franco, V.
Abstract: Optimizing the performance of magnetocaloric materials is facilitated by understanding the thermomagnetic transitions they undergo, including the order of these transitions and their strength. Those exhibiting strong first-order phase transitions (FOPT) are accompanied by large heating and cooling responses but with relatively small cyclic responses, while materials with second-order (SOPT) character exhibit moderate heating and cooling responses. However, the lack of hysteresis could partially compensate for the lower magnitudes with a more cyclic response. One way to effectively maximize the cyclic response, combining the advantages of FOPT and SOPT, is to fine tune the transition towards the borderline of FOPT-SOPT, which can minimize hysteresis. For the well-known La(Fe,Si)13 family, it is challenging to identify and/or evaluate the critical point where FOPT crossovers to SOPT based on conventional techniques. To address these ambiguities, in this work, we apply the field dependence exponent n criteria to a series of lowly hysteretic and high-performance La(Fe,Mn,Si)13H magnetocaloric materials with compositions close to the critical one. Even if the sample with the lowest hysteresis resembles characteristics of SOPT, it is evidently identified as undergoing FOPT from the n criteria: (1) existence of n > 2 overshoot and (2) n at the transition temperature, ntransition, is 0.37. This proximity to the critical composition (ntransition=0.4) further explains the low hysteresis observed. This FOPT character of the series is confirmed by temperature-dependent 57Fe Mössbauer spectrometry studies, fitting the hyperfine field to the Bean-Rodbell model instead of the usual Brillouin function. As it is a zero-field method, the confirmation by Mössbauer spectrometry gives further strength to the n-criterion.
Published: 2023

23. Using a computationally driven screening to enhance magnetocaloric effect of metal monoborides

Author: Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), European Commission, Ministerio de Ciencia e Innovación (España), Consejo Superior de Investigaciones Científicas (España), Romero-Muñiz, C.[0000-0001-6902-1553], Law, J. Y.[0000-0002-1431-6773], Moreno-Ramírez, L. M.[0000-0003-1937-8663], Díaz-García, A.[0000-0002-1400-5748], Franco, V.[0000-0003-3028-6815], Romero-Muñiz, C., Law, Jia Yan, Moreno-Ramírez, L. M., Díaz-García, A., Franco, V., Ministerio de Ciencia, Innovación y Universidades (España), Junta de Andalucía, Air Force Office of Scientific Research (US), European Commission, Ministerio de Ciencia e Innovación (España), Consejo Superior de Investigaciones Científicas (España), Romero-Muñiz, C.[0000-0001-6902-1553], Law, J. Y.[0000-0002-1431-6773], Moreno-Ramírez, L. M.[0000-0003-1937-8663], Díaz-García, A.[0000-0002-1400-5748], Franco, V.[0000-0003-3028-6815], Romero-Muñiz, C., Law, Jia Yan, Moreno-Ramírez, L. M., Díaz-García, A., and Franco, V.
Abstract: In most cases, substitution studies that aim to optimize magnetic properties are performed at the magnetic atomic site. However, in the case of MnB, magnetic substitutions at the Mn site significantly decrease the once promising magnetocaloric and magnetic properties. This study employs computationally directed search to optimize the magnetocaloric properties of MnB where partial substitutions of boron atoms (Mn50B50−x Si x and Mn50B50−x Ge x where x = 3.125, 6.25, and 12.5) reveal new compounds with a greater magnetocaloric effect than pure MnB at the same Curie temperature. These new compounds were obtained by arc melting the pure elements and further characterized. The computationally driven screening process is based on density functional theory calculations that do not require large databases of known compounds. This work demonstrates that using simple computational screening procedures to search for new magnetocaloric materials with improved properties can be done quickly, cost-effectively, and while maintaining reliability.
Published: 2023

24. Current perspective in magnetocaloric materials research

Author: Junta de Andalucía, Ministerio de Ciencia, Innovación y Universidades (España), Air Force Office of Scientific Research (US), Law, J. Y.[0000-0002-1431-6773], Moreno-Ramírez, L. M.[0000-0003-1937-8663], Díaz-García, A.[0000-0002-1400-5748], Franco, V.[0000-0003-3028-6815], Law, Jia Yan, Moreno-Ramírez, L. M., Díaz-García, A., Franco, V., Junta de Andalucía, Ministerio de Ciencia, Innovación y Universidades (España), Air Force Office of Scientific Research (US), Law, J. Y.[0000-0002-1431-6773], Moreno-Ramírez, L. M.[0000-0003-1937-8663], Díaz-García, A.[0000-0002-1400-5748], Franco, V.[0000-0003-3028-6815], Law, Jia Yan, Moreno-Ramírez, L. M., Díaz-García, A., and Franco, V.
Abstract: Magnetocaloric refrigeration has remained a promising alternative to conventional refrigeration for the last few decades. The delay in reaching the market is significantly based on materials' related issues, such as hysteresis/reversibility, mechanical stability, or formability. This perspective paper shows the current trends in magnetocaloric materials research, highlighting the families of alloys and compounds that are gaining attention in the recent years. It also includes an overview of novel approaches that can be used to analyze these properties that could improve the applicability of magnetocaloric materials.
Published: 2023

25. Cavity-modulated proton transfer reactions

Author: European Commission, European Research Council, German Research Foundation, Air Force Office of Scientific Research (US), Flatiron Institute, Simons Foundation, Pavošević, Fabijan, Hammes-Schiffer, Sharon, Rubio, Angel, Flick, Johannes, European Commission, European Research Council, German Research Foundation, Air Force Office of Scientific Research (US), Flatiron Institute, Simons Foundation, Pavošević, Fabijan, Hammes-Schiffer, Sharon, Rubio, Angel, and Flick, Johannes
Abstract: Proton transfer is ubiquitous in many fundamental chemical and biological processes, and the ability to modulate and control the proton transfer rate would have a major impact on numerous quantum technological advances. One possibility to modulate the reaction rate of proton transfer processes is given by exploiting the strong light-matter coupling of chemical systems inside optical or nanoplasmonic cavities. In this work, we investigate the proton transfer reactions in the prototype malonaldehyde and Z-3-amino-propenal (aminopropenal) molecules using different quantum electrodynamics methods, in particular, quantum electrodynamics coupled cluster theory and quantum electrodynamical density functional theory. Depending on the cavity mode polarization direction, we show that the optical cavity can increase the reaction energy barrier by 10–20% or decrease the reaction barrier by ∼5%. By using first-principles methods, this work establishes strong light-matter coupling as a viable and practical route to alter and catalyze proton transfer reactions.
Published: 2022

26. The 2022 magneto-optics roadmap

Author: Dutch Research Council, Russian Science Foundation, German Research Foundation, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Czech Science Foundation, Collaborative Research Centres (Germany), Ministero dell'Istruzione, dell'Università e della Ricerca, National Centres of Competence in Research (Switzerland), Swiss National Science Foundation, European Commission, Agence Nationale de la Recherche (France), Fonds National de la Recherche Luxembourg, Swedish Research Council, Ministry of Science and Higher Education of the Russian Federation, Max Planck Society, Japan Synchrotron Radiation Research Institute, University of Tokyo, Université Paris-Saclay, Air Force Office of Scientific Research (US), National Science Foundation (US), Energy Frontier Research Centers (US), University of Nebraska–Lincoln, Swedish Foundation for Strategic Research, Linköping University, National Natural Science Foundation of China, Kimel, Alexey, Zvezdin, Anatoly, Sharma, Sangeeta, Shallcross, Samuel, Sousa Nuno de, García-Martín, Antonio, Salvan, Georgeta, Hamrle, Jaroslav, Stejskal, Ondřej, McCord, Jeffrey, Tacchi, Silvia, Carlotti, Giovanni, Gambardella, Pietro, Salis, Gian, Münzenberg, Markus, Schultze, Martin, Temnov, Vasily, Bychkov, Igor V., Kotov, Leonid N., Maccaferri, Nicolò, Ignatyeva, Daria, Belotelov, Vladimir, Donnelly, Claire, Hierro-Rodríguez, Aurelio, Matsuda, Iwao, Ruchon, Thierry, Fanciulli, Mauro, Sacchi, Maurizio, Du, Chunhui Rita, Wang, Hailong, Armitage, N. Peter, Schubert, Mathias, Darakchieva, Vanya, Liu, Bilu, Huang, Ziyang, Ding, Baofu, Berger, Andreas, Vavassori, Paolo, Dutch Research Council, Russian Science Foundation, German Research Foundation, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), Czech Science Foundation, Collaborative Research Centres (Germany), Ministero dell'Istruzione, dell'Università e della Ricerca, National Centres of Competence in Research (Switzerland), Swiss National Science Foundation, European Commission, Agence Nationale de la Recherche (France), Fonds National de la Recherche Luxembourg, Swedish Research Council, Ministry of Science and Higher Education of the Russian Federation, Max Planck Society, Japan Synchrotron Radiation Research Institute, University of Tokyo, Université Paris-Saclay, Air Force Office of Scientific Research (US), National Science Foundation (US), Energy Frontier Research Centers (US), University of Nebraska–Lincoln, Swedish Foundation for Strategic Research, Linköping University, National Natural Science Foundation of China, Kimel, Alexey, Zvezdin, Anatoly, Sharma, Sangeeta, Shallcross, Samuel, Sousa Nuno de, García-Martín, Antonio, Salvan, Georgeta, Hamrle, Jaroslav, Stejskal, Ondřej, McCord, Jeffrey, Tacchi, Silvia, Carlotti, Giovanni, Gambardella, Pietro, Salis, Gian, Münzenberg, Markus, Schultze, Martin, Temnov, Vasily, Bychkov, Igor V., Kotov, Leonid N., Maccaferri, Nicolò, Ignatyeva, Daria, Belotelov, Vladimir, Donnelly, Claire, Hierro-Rodríguez, Aurelio, Matsuda, Iwao, Ruchon, Thierry, Fanciulli, Mauro, Sacchi, Maurizio, Du, Chunhui Rita, Wang, Hailong, Armitage, N. Peter, Schubert, Mathias, Darakchieva, Vanya, Liu, Bilu, Huang, Ziyang, Ding, Baofu, Berger, Andreas, and Vavassori, Paolo
Abstract: Magneto-optical (MO) effects, viz. magnetically induced changes in light intensity or polarization upon reflection from or transmission through a magnetic sample, were discovered over a century and a half ago. Initially they played a crucially relevant role in unveiling the fundamentals of electromagnetism and quantum mechanics. A more broad-based relevance and wide-spread use of MO methods, however, remained quite limited until the 1960s due to a lack of suitable, reliable and easy-to-operate light sources. The advent of Laser technology and the availability of other novel light sources led to an enormous expansion of MO measurement techniques and applications that continues to this day (see section 1). The here-assembled roadmap article is intended to provide a meaningful survey over many of the most relevant recent developments, advances, and emerging research directions in a rather condensed form, so that readers can easily access a significant overview about this very dynamic research field. While light source technology and other experimental developments were crucial in the establishment of today's magneto-optics, progress also relies on an ever-increasing theoretical understanding of MO effects from a quantum mechanical perspective (see section 2), as well as using electromagnetic theory and modelling approaches (see section 3) to enable quantitatively reliable predictions for ever more complex materials, metamaterials, and device geometries. The latest advances in established MO methodologies and especially the utilization of the MO Kerr effect (MOKE) are presented in sections 4 (MOKE spectroscopy), 5 (higher order MOKE effects), 6 (MOKE microscopy), 8 (high sensitivity MOKE), 9 (generalized MO ellipsometry), and 20 (Cotton–Mouton effect in two-dimensional materials). In addition, MO effects are now being investigated and utilized in spectral ranges, to which they originally seemed completely foreign, as those of synchrotron radiation x-rays (see section 14, Despite our best attempt to represent the field of magneto-optics accurately and do justice to all its novel developments and its diversity, the research area is so extensive and active that there remains great latitude in deciding what to include in an article of this sort, which in turn means that some areas might not be adequately represented here. However, we feel that the 20 sections that form this 2022 magneto-optics roadmap article, each written by experts in the field and addressing a specific subject on only two pages, provide an accurate snapshot of where this research field stands today. Correspondingly, it should act as a valuable reference point and guideline for emerging research directions in modern magneto-optics, as well as illustrate the directions this research field might take in the foreseeable future.
Published: 2022

27. Learning unseen coexisting attractors

Author: Air Force Office of Scientific Research (US), Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Japan Society for the Promotion of Science, Gauthier, Daniel J. [0000-0002-4473-217X], Fischer, Ingo [0000-0003-1881-9842], Röhm, André [0000-0002-8552-7922], Gauthier, Daniel J., Fischer, Ingo, Röhm, André, Air Force Office of Scientific Research (US), Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Japan Society for the Promotion of Science, Gauthier, Daniel J. [0000-0002-4473-217X], Fischer, Ingo [0000-0003-1881-9842], Röhm, André [0000-0002-8552-7922], Gauthier, Daniel J., Fischer, Ingo, and Röhm, André
Abstract: Reservoir computing is a machine learning approach that can generate a surrogate model of a dynamical system. It can learn the underlying dynamical system using fewer trainable parameters and, hence, smaller training data sets than competing approaches. Recently, a simpler formulation, known as next-generation reservoir computing, removed many algorithm metaparameters and identified a well-performing traditional reservoir computer, thus simplifying training even further. Here, we study a particularly challenging problem of learning a dynamical system that has both disparate time scales and multiple co-existing dynamical states (attractors). We compare the next-generation and traditional reservoir computer using metrics quantifying the geometry of the ground-truth and forecasted attractors. For the studied four-dimensional system, the next-generation reservoir computing approach uses ∼ 1.7 × less training data, requires 10 × shorter "warmup" time, has fewer metaparameters, and has an ∼ 100 × higher accuracy in predicting the co-existing attractor characteristics in comparison to a traditional reservoir computer. Furthermore, we demonstrate that it predicts the basin of attraction with high accuracy. This work lends further support to the superior learning ability of this new machine learning algorithm for dynamical systems.
Published: 2022

28. Moiré nematic phase in twisted double bilayer graphene

Author: Department of Energy (US), Air Force Office of Scientific Research (US), European Commission, European Research Council, Flatiron Institute, German Research Foundation, Max Planck Society, National Science Foundation (US), RWTH Aachen University, Japan Society for the Promotion of Science, Ministry of Education, Culture, Sports, Science and Technology (Japan), Simons Foundation, Rubio-Verdú, Carmen, Turkel, Simon, Song, Yuan, Klebl, Lennart, Samajdar, Rhine, Scheurer, Mathias S., Venderbos, W. F., Watanabe, Kenji, Taniguchi, Takashi, Ochoa, Héctor, Xian, Lede, Kennes, Dante M., Fernandes, Rafael M., Rubio, Angel, Pasupathy, Abhay N., Department of Energy (US), Air Force Office of Scientific Research (US), European Commission, European Research Council, Flatiron Institute, German Research Foundation, Max Planck Society, National Science Foundation (US), RWTH Aachen University, Japan Society for the Promotion of Science, Ministry of Education, Culture, Sports, Science and Technology (Japan), Simons Foundation, Rubio-Verdú, Carmen, Turkel, Simon, Song, Yuan, Klebl, Lennart, Samajdar, Rhine, Scheurer, Mathias S., Venderbos, W. F., Watanabe, Kenji, Taniguchi, Takashi, Ochoa, Héctor, Xian, Lede, Kennes, Dante M., Fernandes, Rafael M., Rubio, Angel, and Pasupathy, Abhay N.
Abstract: Graphene moiré superlattices display electronic flat bands. At integer fillings of these flat bands, energy gaps due to strong electron–electron interactions are generally observed. However, the presence of other correlation-driven phases in twisted graphitic systems at non-integer fillings is unclear. Here, we report the existence of three-fold rotational (C3) symmetry breaking in twisted double bilayer graphene. Using spectroscopic imaging over large and uniform areas to characterize the direction and degree of C3 symmetry breaking, we find it to be prominent only at energies corresponding to the flat bands and nearly absent in the remote bands. We demonstrate that the magnitude of the rotational symmetry breaking does not depend on the degree of the heterostrain or the displacement field, being instead a manifestation of an interaction-driven electronic nematic phase. We show that the nematic phase is a primary order that arises from the normal metal state over a wide range of doping away from charge neutrality. Our modelling suggests that the nematic instability is not associated with the local scale of the graphene lattice, but is an emergent phenomenon at the scale of the moiré lattice.
Published: 2022

29. Energy density as a probe of band representations in photonic crystals

Author: Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fundação para a Ciência e a Tecnologia (Portugal), Purdue University, Air Force Office of Scientific Research (US), Blanco de Paz, María, Herrera, Miguel Ángel J., Arroyo Huidobro, P., Alaeian, H., Vergniory, Maia G., Bradlyn, Barry, Giedke, Géza, García-Etxarri, Aitzol, Bercioux, Dario, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fundação para a Ciência e a Tecnologia (Portugal), Purdue University, Air Force Office of Scientific Research (US), Blanco de Paz, María, Herrera, Miguel Ángel J., Arroyo Huidobro, P., Alaeian, H., Vergniory, Maia G., Bradlyn, Barry, Giedke, Géza, García-Etxarri, Aitzol, and Bercioux, Dario
Abstract: Topological quantum chemistry (TQC) has recently emerged as an instrumental tool to characterize the topological nature of both fermionic and bosonic band structures. TQC is based on the study of band representations and the localization of maximally localized Wannier functions. In this article, we study various two-dimensional photonic crystal structures analyzing their topological character through a combined study of TQC, their Wilson-loop (WL) spectra and the electromagnetic energy density. Our study demonstrates that the analysis of the spatial localization of the energy density complements the study of the topological properties in terms of the spectrum of the WL operator and TQC.
Published: 2022

30. Augmented probability simulation for adversarial risk analysis in general security games

Author: AXA Research Fund, European Office of Aerospace Research and Development, Air Force Office of Scientific Research (US), 0000-0002-5748-9658, Naveiro, Roi, Insua, David Rios, Camacho, Jose Manuel, AXA Research Fund, European Office of Aerospace Research and Development, Air Force Office of Scientific Research (US), 0000-0002-5748-9658, Naveiro, Roi, Insua, David Rios, and Camacho, Jose Manuel
Abstract: Although widely used, standard game-theoretic approaches to security games face severe shortcomings, being the common knowledge assumption a critical one. Adversarial Risk Analysis (ARA) is an alternative modeling framework that mitigates such limitations. However, from a computational perspective, ARA is much more involved than its game theoretical counterparts. We propose an approach for finding ARA solutions to security games represented as bi-agent influence diagrams that is based on augmented probability simulation. We motivate this approach using two simple cases: sequential and simultaneous defend-attack models. We next provide the general framework and illustrate it in handling risks in a cybersecurity setting.
Published: 2022

31. Managing Driving Modes in Automated Driving Systems

Author: European Commission, Ministerio de Ciencia e Innovación (España), AXA Research Fund, Fundación BBVA, Air Force Office of Scientific Research (US), 0000-0002-5748-9658, 0000-0002-8432-4680, 0000-0001-9032-2465, Insua, David Ríos, Caballero, William N., Naveiro, Roi, European Commission, Ministerio de Ciencia e Innovación (España), AXA Research Fund, Fundación BBVA, Air Force Office of Scientific Research (US), 0000-0002-5748-9658, 0000-0002-8432-4680, 0000-0001-9032-2465, Insua, David Ríos, Caballero, William N., and Naveiro, Roi
Abstract: Current technology is unable to produce massively deployable, fully automated vehicles that do not require human intervention. Given that such limitations are projected to persist for decades, scenarios requiring a driver to assume control of a semiautomated vehicle, and vice versa, will remain a feature of modern roadways for the foreseeable future. Herein, we adopt a comprehensive perspective of this problem by simultaneously considering operational design domain supervision, driver and environment monitoring, trajectory planning, and driver-intervention performance assessment. More specifically, we develop a modeling framework for each of the aforementioned functions by leveraging decision analysis and Bayesian forecasting. Utilizing this framework, a suite of algorithms is subsequently proposed for driving-mode management and early warning emission, according to a management by exception principle. The efficacy of the developed methods is illustrated and examined via a simulated case study.
Published: 2022

32. Pyroelectric thin films - Past, present, and future

Author: Air Force Office of Scientific Research (US), National Science Foundation (US), European Commission, Department of Energy (US), Velarde, Gabriel, Pandya, Shishir, Karthik, J., Pesquera, David, Martin, Lane W., Air Force Office of Scientific Research (US), National Science Foundation (US), European Commission, Department of Energy (US), Velarde, Gabriel, Pandya, Shishir, Karthik, J., Pesquera, David, and Martin, Lane W.
Abstract: Pyroelectrics are a material class that undergoes a change in polarization as the temperature of the system is varied. This effect can be utilized for applications ranging from thermal imaging and sensing to waste-heat energy conversion to thermally driven electron emission. Here, we review recent advances in the study and utilization of thin-film pyroelectrics. Leveraging advances in modeling, synthesis, and characterization has provided a pathway forward in one of the more poorly developed subfields of ferroelectricity. We introduce the complex physical phenomena of pyroelectricity, briefly explore the history of work in this space, and highlight not only new advances in the direct measurement of such effects but also how our ability to control thin-film materials is changing our understanding of this response. Finally, we discuss recent advances in thin-film pyroelectric devices and introduce a number of potentially new directions the field may follow in the coming years.
Published: 2021

33. Cubic 3D Chern photonic insulators with orientable large Chern vectors

Author: Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Air Force Office of Scientific Research (US), Diputación Foral de Gipuzkoa, Devescovi, Chiara, García-Díez, Mikel, Robredo, Iñigo, Blanco de Paz, María, Lasa-Alonso, Jon, Bradlyn, Barry, Mañes, Juan L., Vergniory, Maia G., García-Etxarri, Aitzol, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Air Force Office of Scientific Research (US), Diputación Foral de Gipuzkoa, Devescovi, Chiara, García-Díez, Mikel, Robredo, Iñigo, Blanco de Paz, María, Lasa-Alonso, Jon, Bradlyn, Barry, Mañes, Juan L., Vergniory, Maia G., and García-Etxarri, Aitzol
Abstract: Time Reversal Symmetry (TRS) broken topological phases provide gapless surface states protected by topology, regardless of additional internal symmetries, spin or valley degrees of freedom. Despite the numerous demonstrations of 2D topological phases, few examples of 3D topological systems with TRS breaking exist. In this article, we devise a general strategy to design 3D Chern insulating (3D CI) cubic photonic crystals in a weakly TRS broken environment with orientable and arbitrarily large Chern vectors. The designs display topologically protected chiral and unidirectional surface states with disjoint equifrequency loops. The resulting crystals present the following characteristics: First, by increasing the Chern number, multiple surface states channels can be supported. Second, the Chern vector can be oriented along any direction simply changing the magnetization axis, opening up larger 3D CI/3D CI interfacing possibilities as compared to 2D. Third, by lowering the TRS breaking requirements, the system is ideal for realistic photonic applications where the magnetic response is weak.
Published: 2021

34. Combining Swarm Langmuir probe observations, LEO-POD-based and ground-based GNSS receivers and ionosondes for prompt detection of ionospheric earthquake and tsunami signatures: Case study of 2015 Chile-Illapel event

Author: Air Force Office of Scientific Research (US), Jarmołowski, Wojciech, Belehaki, Anna, Hernández-Pajares, Manuel, Schmidt, Michael, Goss, Andreas, Wielgosz, Paweł, Yang, Heng, Krypiak-Gregorczyk, Anna, Tsagouri, Ioanna, Paouris, Evangelos, Monte-Moreno, Enric, García-Rigo, Alberto, Milanowska, Beata, Erdogan, Aysegül, Graffigna, Victoria, Haagmans, Roger, Air Force Office of Scientific Research (US), Jarmołowski, Wojciech, Belehaki, Anna, Hernández-Pajares, Manuel, Schmidt, Michael, Goss, Andreas, Wielgosz, Paweł, Yang, Heng, Krypiak-Gregorczyk, Anna, Tsagouri, Ioanna, Paouris, Evangelos, Monte-Moreno, Enric, García-Rigo, Alberto, Milanowska, Beata, Erdogan, Aysegül, Graffigna, Victoria, and Haagmans, Roger
Abstract: The study investigates ionospheric electric field responses to the earthquake (EQ) of magnitude 8.3, and the related seismic activity and tsunami triggered by the mainshock in Chile-Illapel region, at 22:54 UTC, in the evening of September 16, 2015. The work is a wider review of available ground and satellite data and techniques available to detect seismically induced traveling ionospheric disturbances (TID) and irregularities of smaller scale. The data used in the experiment includes several types of ground and satellite observations from low-Earth orbit (LEO) satellites. The number of techniques applied here is also extended and includes spectral analysis of LEO along-track data and composed analysis of ground GNSS data. The timeframe of the analyses is focused on September 16 and 17, 2015 but also extended to several adjacent days, where an enhanced seismic activity has been recorded. Several examples of seismically triggered TIDs are shown, as detected by combined observations from more than one source and applying different methods, including spectral analysis. These disturbances occur before the mainshock, just after, or in time following this large EQ, and can be found in close neighborhood of Chile-Illapel or far away from the epicenter. The objective of the work was to demonstrate an increasing number of available data and techniques, which can be limited when applied alone, but their combination can provide many advantages in the analysis of seismically disturbed ionosphere. The combination of LEO satellite data reaching all regions of the globe with local but dense ground-based GNSS data and ionospheric HF sounders looks promising, especially in view of the nearby availability of CubeSat constellations equipped with instruments for ionosphere sounding. An important conclusion coming from the study is a need for spectral analysis techniques in the processing of LEO along-track data and the requirement of the validation of LEO observations with separate LEO
Published: 2021

35. Distributed data-driven UAV formation control via evolutionary games: Experimental results

Author: Air Force Office of Scientific Research (US), New York University Abu Dhabi, Fondo para la Investigación Científica y Tecnológica (Argentina), Ministerio de Economía y Competitividad (España), Barreiro-Gómez, Julian, Mas, Ignacio, Giribet, Juan Ignacio, Moreno, Patricio, Ocampo-Martínez, Carlos, Sánchez-Peña, Ricardo S., Quijano, Nicanor, Air Force Office of Scientific Research (US), New York University Abu Dhabi, Fondo para la Investigación Científica y Tecnológica (Argentina), Ministerio de Economía y Competitividad (España), Barreiro-Gómez, Julian, Mas, Ignacio, Giribet, Juan Ignacio, Moreno, Patricio, Ocampo-Martínez, Carlos, Sánchez-Peña, Ricardo S., and Quijano, Nicanor
Abstract: This work proposes a novel data-driven distributed formation-control approach based on multi-population evolutionary games, which is structured in a leader-follower scheme. The methodology considers a time-varying communication graph that describes how the multiple agents share information to each other. We present stability guarantees for configurations given by time-varying interaction networks, making the proposed method suitable for real-world problems where communication constraints change along the time. Additionally, the proposed formation controller allows for an agent to leave or enter the group without the need to modify the behaviors of other agents in the group. This game-theoretical approach is evaluated through numerical simulations and real outdoors experimental results using a fleet of aerial autonomous vehicles, showing the control performance.
Published: 2021

36. Gaussian phase sensitivity of boson-sampling-inspired strategies

Author: Air Force Office of Scientific Research (US), Ministerio de Ciencia, Innovación y Universidades (España), Valido, Antonio A., García-Ripoll, Juan José, Air Force Office of Scientific Research (US), Ministerio de Ciencia, Innovación y Universidades (España), Valido, Antonio A., and García-Ripoll, Juan José
Abstract: In this paper we study the phase sensitivity of generic linear interferometric schemes using Gaussian resources and measurements. Our formalism is based on the Fisher information. This allows us to separate the contributions of the measurement scheme, the experimental imperfections, and auxiliary systems. We demonstrate the strength of this formalism using a broad class of multimode Gaussian states that includes well-known results from single- and two-mode metrology scenarios. Using this, we prove that input coherent states or squeezing improve upon the nonclassical states proposed in preceding boson-sampling-inspired phase-estimation schemes. We also develop a polychromatic interferometric protocol, demonstrating an enhanced sensitivity with respect to two-mode squeezed-vacuum states, for which the ideal homodyne detection is formally shown to be optimal.
Published: 2021

37. Quantum-inspired algorithms for multivariate analysis: From interpolation to partial differential equations

Author: Air Force Office of Scientific Research (US), Ministerio de Ciencia, Innovación y Universidades (España), Comunidad de Madrid, García-Ripoll, Juan José, Air Force Office of Scientific Research (US), Ministerio de Ciencia, Innovación y Universidades (España), Comunidad de Madrid, and García-Ripoll, Juan José
Abstract: In this work we study the encoding of smooth, differentiable multivariate function in quantum registers, using quantum computers or tensor-network representations. We show that a large family of distributions can be encoded as low-entanglement states of the quantum register. These states can be efficiently created in a quantum computer, but they are also efficiently stored, manipulated and probed using Matrix-Product States techniques. Inspired by this idea, we present eight quantum-inspired numerical analysis algorithms, that include Fourier sampling, interpolation, differentiation and integration of partial derivative equations. These algorithms combine classical ideas-finite-differences, spectral methods-with the efficient encoding of quantum registers, and well known algorithms, such as the Quantum Fourier Transform. When these heuristic methods work, they provide an exponential speed-up over other classical algorithms, such as Monte Carlo integration, finite-difference and fast Fourier transforms (FFT). But even when they don't, some of these algorithms can be translated back to a quantum computer to implement a similar task.
Published: 2021

38. Quantum electrodynamics in a topological waveguide

Author: Department of Energy (US), Air Force Office of Scientific Research (US), National Science Foundation (US), Gordon and Betty Moore Foundation, Kavli Nanoscience Institute, Ministerio de Ciencia, Innovación y Universidades (España), Consejo Superior de Investigaciones Científicas (España), Comunidad de Madrid, Kim, Eunjong, Zhang, Xueyue, Ferreira, Vinicius S., Banker, Jash, Iverson, Joseph K., Sipahigil, Alp, Bello, Miguel, González-Tudela, A., Mirhosseini, Mohammad, Painter, Oskar, Department of Energy (US), Air Force Office of Scientific Research (US), National Science Foundation (US), Gordon and Betty Moore Foundation, Kavli Nanoscience Institute, Ministerio de Ciencia, Innovación y Universidades (España), Consejo Superior de Investigaciones Científicas (España), Comunidad de Madrid, Kim, Eunjong, Zhang, Xueyue, Ferreira, Vinicius S., Banker, Jash, Iverson, Joseph K., Sipahigil, Alp, Bello, Miguel, González-Tudela, A., Mirhosseini, Mohammad, and Painter, Oskar
Abstract: While designing the energy-momentum relation of photons is key to many linear, nonlinear, and quantum optical phenomena, a new set of light-matter properties may be realized by employing the topology of the photonic bath itself. In this work we experimentally investigate the properties of superconducting qubits coupled to a metamaterial waveguide based on a photonic analog of the Su-Schrieffer-Heeger model. We explore topologically induced properties of qubits coupled to such a waveguide, ranging from the formation of directional qubit-photon bound states to topology-dependent cooperative radiation effects. Addition of qubits to this waveguide system also enables direct quantum control over topological edge states that form in finite waveguide systems, useful for instance in constructing a topologically protected quantum communication channel. More broadly, our work demonstrates the opportunity that topological waveguide-QED systems offer in the synthesis and study of many-body states with exotic long-range quantum correlations.
Published: 2021

39. Analysis of the performance of a hybrid CPU/GPU 1D2D coupled model for real flood cases

Author: Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Air Force Office of Scientific Research (US), Echeverribar, Isabel [0000-0001-8221-523X], Morales Hernández, Mario [0000-0001-6961-7250], Brufau, Pilar [0000-0002-0415-0001], Echeverribar, Isabel, Morales-Hernández, Mario, Brufau, Pilar, García-Navarro, Pilar, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Air Force Office of Scientific Research (US), Echeverribar, Isabel [0000-0001-8221-523X], Morales Hernández, Mario [0000-0001-6961-7250], Brufau, Pilar [0000-0002-0415-0001], Echeverribar, Isabel, Morales-Hernández, Mario, Brufau, Pilar, and García-Navarro, Pilar
Abstract: Coupled 1D2D models emerged as an efficient solution for a two-dimensional (2D) representation of the floodplain combined with a fast one-dimensional (1D) schematization of the main channel. At the same time, high-performance computing (HPC) has appeared as an efficient tool for model acceleration. In this work, a previously validated 1D2D Central Processing Unit (CPU) model is combined with an HPC technique for fast and accurate flood simulation. Due to the speed of 1D schemes, a hybrid CPU/GPU model that runs the 1D main channel on CPU and accelerates the 2D floodplain with a Graphics Processing Unit (GPU) is presented. Since the data transfer between sub-domains and devices (CPU/GPU) may be the main potential drawback of this architecture, the test cases are selected to carry out a careful time analysis. The results reveal the speed-up dependency on the 2D mesh, the event to be solved and the 1D discretization of the main channel. Additionally, special attention must be paid to the time step size computation shared between sub-models. In spite of the use of a hybrid CPU/GPU implementation, high speed-ups are accomplished in some cases.
Published: 2020

40. A GPU-based 2D shallow water quality model

Author: Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Air Force Office of Scientific Research (US), Gordillo, Geovanny [0000-0001-5941-0109], Morales Hernández, Mario [0000-0001-6961-7250], Echeverribar, Isabel [0000-0001-8221-523X], Fernández-Pato, J. [0000-0002-3635-6223], Gordillo, Geovanny, Morales-Hernández, Mario, Echeverribar, Isabel, Fernández-Pato, J., García-Navarro, Pilar, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Air Force Office of Scientific Research (US), Gordillo, Geovanny [0000-0001-5941-0109], Morales Hernández, Mario [0000-0001-6961-7250], Echeverribar, Isabel [0000-0001-8221-523X], Fernández-Pato, J. [0000-0002-3635-6223], Gordillo, Geovanny, Morales-Hernández, Mario, Echeverribar, Isabel, Fernández-Pato, J., and García-Navarro, Pilar
Abstract: In this study, a 2D shallow water flow solver integrated with a water quality model is presented. The interaction between the main water quality constituents included is based on the Water Quality Analysis Simulation Program. Efficiency is achieved by computing with a combination of a Central Processing Unit (CPU) and a Graphics Processing Unit (GPU) device. This technique is intended to provide robust and accurate simulations with high computation speedups with respect to a single-core CPU in real events. The proposed numerical model is evaluated in cases that include the transport and reaction of water quality components over irregular bed topography and dry–wet fronts, verifying that the numerical solution in these situations conserves the required properties (C-property and positivity). The model can operate in any steady or unsteady form allowing an efficient assessment of the environmental impact of water flows. The field data from an unsteady river reach test case are used to show that the model is capable of predicting the measured temporal distribution of dissolved oxygen and water temperature, proving the robustness and computational efficiency of the model, even in the presence of noisy signals such as wind speed.
Published: 2020

41. Analysis of the performance of different culvert boundary conditions in 2D shallow flow models

Author: Gobierno de Aragón, European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Air Force Office of Scientific Research (US), Fernández-Pato, J. [0000-0002-3635-6223], Martínez-Aranda, S. [0000-0003-4673-9073], Morales Hernández, Mario [0000-0001-6961-7250], Fernández-Pato, J., Martínez-Aranda, S., Morales-Hernández, Mario, García-Navarro, Pilar, Gobierno de Aragón, European Commission, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Air Force Office of Scientific Research (US), Fernández-Pato, J. [0000-0002-3635-6223], Martínez-Aranda, S. [0000-0003-4673-9073], Morales Hernández, Mario [0000-0001-6961-7250], Fernández-Pato, J., Martínez-Aranda, S., Morales-Hernández, Mario, and García-Navarro, Pilar
Abstract: Culverts allow roads to safely traverse small streams or drainage ditches, and their proper design is critical to ensure a safe and reliable transportation network. A correct modelization of these hydraulic structures becomes crucial in the assessment of flood footprints or discharge peak estimation in a risk evaluation plan. The question of how to include culverts comes up frequently when assembling a hydraulic model that requires the presence of as many singular elements as possible. In this work, three different culvert integrations with the surface domain are studied and compared in the context of a 2D shallow water (SW) model. All of them are based on the Federal Highway Administration (FHWA) formulation for the culvert discharge estimation but differ in complexity and in the interaction with the numerical model for surface flow, some of them as internal boundary conditions. Several steady and unsteady validation test cases are presented and the numerical results are compared with the predictions from HEC-RAS 1D and HY-8 software. The culvert area, shape and their sensitivity to the 2D computational mesh is also analyzed.
Published: 2020

42. A gradient-descent adjoint method for the reconstruction of boundary conditions in a river flow nitrification model

Author: Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Air Force Office of Scientific Research (US), Gordillo, Geovanny [0000-0001-5941-0109], Morales Hernández, Mario [0000-0001-6961-7250], Gordillo, Geovanny, Morales-Hernández, Mario, García-Navarro, Pilar, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), European Commission, Air Force Office of Scientific Research (US), Gordillo, Geovanny [0000-0001-5941-0109], Morales Hernández, Mario [0000-0001-6961-7250], Gordillo, Geovanny, Morales-Hernández, Mario, and García-Navarro, Pilar
Abstract: One of the reasons for the limited applicability of predictive water quality models is the lack of data from monitoring control stations that are required as input. In this context, the main novelty of the present work is the recovery of information on the state variables present in a water quality model through measured data at a target downstream location. The reconstruction of the upstream boundary condition is the goal of the present work. For this purpose, an adjoint-state method is developed to find the sensitivities of the functional with respect to variations on the upstream boundary conditions of the model. The resolution of both forward and backward problems ensures strong, accurate and reliable solutions in both steady state and unsteady scenarios. The different cases demonstrate that the method is able to reconstruct any observed distribution with little computational effort, including the heat balance with all its external inputs.
Published: 2020

43. The importance of quantifying the composition of the amorphous intermixed phase in organic solar cells

Author: Ikerbasque Basque Foundation for Science, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), European Commission, Eusko Jaurlaritza, Alexander von Humboldt Foundation, Agence Nationale de la Recherche (France), Air Force Office of Scientific Research (US), Ministerio de Economía y Competitividad (España), Marina, Sara, Kaufmann, Noëmi Petrina, Karki, Akchheta, Gutiérrez-Meza, Elizabeth, Gutiérrez-Fernández, Edgar, Vollbrecht, Joachim, Solano, Eduardo, Walker, Barnaby, Bannock, James H., Mello, John de, Silva, Carlos, Nguyen, Thuc-Quyen, Cangialosi, Daniele, Stingelin, Natalie, Martín, Jaime, Ikerbasque Basque Foundation for Science, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), European Commission, Eusko Jaurlaritza, Alexander von Humboldt Foundation, Agence Nationale de la Recherche (France), Air Force Office of Scientific Research (US), Ministerio de Economía y Competitividad (España), Marina, Sara, Kaufmann, Noëmi Petrina, Karki, Akchheta, Gutiérrez-Meza, Elizabeth, Gutiérrez-Fernández, Edgar, Vollbrecht, Joachim, Solano, Eduardo, Walker, Barnaby, Bannock, James H., Mello, John de, Silva, Carlos, Nguyen, Thuc-Quyen, Cangialosi, Daniele, Stingelin, Natalie, and Martín, Jaime
Abstract: The relation of phase morphology and solid‐state microstructure with organic photovoltaic (OPV) device performance has intensely been investigated over the last twenty years. While it has been established that a combination of donor:acceptor intermixing and presence of relatively phase‐pure donor and acceptor domains is needed to get an optimum compromise between charge generation and charge transport/charge extraction, a quantitative picture of how much intermixing is needed is still lacking. This is mainly due to the difficulty in quantitatively analyzing the intermixed phase, which generally is amorphous. Here, fast scanning calorimetry, which allows measurement of device‐relevant thin films (<200 nm thickness), is exploited to deduce the precise composition of the intermixed phase in bulk‐heterojunction structures. The power of fast scanning calorimetry is illustrated by considering two polymer:fullerene model systems. Somewhat surprisingly, it is found that a relatively small fraction (<15 wt%) of an acceptor in the intermixed amorphous phase leads to efficient charge generation. In contrast, charge transport can only be sustained in blends with a significant amount of the acceptor in the intermixed phase (in this case: ≈58 wt%). This example shows that fast scanning calorimetry is an important tool for establishing a complete compositional characterization of organic bulk heterojunctions. Hence, it will be critical in advancing quantitative morphology–function models that allow for the rational design of these devices, and in delivering insights in, for example, solar cell degradation mechanisms via phase separation, especially for more complex high‐performing systems such as nonfullerene acceptor:polymer bulk heterojunctions.
Published: 2020

44. SEVA 3.0: An update of the Standard European Vector Architecture for enabling portability of genetic constructs among diverse bacterial hosts

Author: Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Comunidad de Madrid, Engineering and Physical Sciences Research Council (UK), Air Force Office of Scientific Research (US), Martínez-García, Esteban, Goñi-Moreno, Ángel, Bartley, Bryan, McLaughlin, James, Sánchez-Sampedro, Lucas, Pascual del Pozo, Héctor, Prieto Hernández, Clara, Serena Marletta, Ada, Lucrezia, Davide De, Sánchez-Fernández, Guzmán, Fraile, Sofía, Lorenzo, Víctor de, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Comunidad de Madrid, Engineering and Physical Sciences Research Council (UK), Air Force Office of Scientific Research (US), Martínez-García, Esteban, Goñi-Moreno, Ángel, Bartley, Bryan, McLaughlin, James, Sánchez-Sampedro, Lucas, Pascual del Pozo, Héctor, Prieto Hernández, Clara, Serena Marletta, Ada, Lucrezia, Davide De, Sánchez-Fernández, Guzmán, Fraile, Sofía, and Lorenzo, Víctor de
Abstract: The Standard European Vector Architecture 3.0 database (SEVA-DB 3.0, http://seva.cnb.csic.es) is the update of the platform launched in 2013 both as a web-based resource and as a material repository of formatted genetic tools (mostly plasmids) for analysis, construction and deployment of complex bacterial phenotypes. The period between the first version of SEVA-DB and the present time has witnessed several technical, computational and conceptual advances in genetic/genomic engineering of prokaryotes that have enabled upgrading of the utilities of the updated database. Novelties include not only a more user-friendly web interface and many more plasmid vectors, but also new links of the plasmids to advanced bioinformatic tools. These provide an intuitive visualization of the constructs at stake and a range of virtual manipulations of DNA segments that were not possible before. Finally, the list of canonical SEVA plasmids is available in machine-readable SBOL (Synthetic Biology Open Language) format. This ensures interoperability with other platforms and affords simulations of their behaviour under different in vivo conditions. We argue that the SEVA-DB will remain a useful resource for extending Synthetic Biology approaches towards non-standard bacterial species as well as genetically programming new prokaryotic chassis for a suite of fundamental and biotechnological endeavours.
Published: 2020

45. Intermolecular Resonance Correlates Electron Pairs Down A Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl

Author: National Science Foundation (US), Air Force Office of Scientific Research (US), Swiss National Science Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Ministerio de Economía y Competitividad (España), Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), Gadjieva, Natalia A., Szirmai, Péter, Sági, Olivér, Alemany, Pere, Bartholomew, Amymarie K., Stone, Ilana, Conejeros, Sergio, Paley, Daniel W., Hernández Sánchez, Raúl, Fowler, Brandon, Peurifoy, Samuel R., Náfrádi, Bálint, Forró, László, Roy, Xavier, Batail, Patrick, Canadell, Enric, Steigerwald, Michael L., Nuckolls, Colin, National Science Foundation (US), Air Force Office of Scientific Research (US), Swiss National Science Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Ministerio de Economía y Competitividad (España), Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), Gadjieva, Natalia A., Szirmai, Péter, Sági, Olivér, Alemany, Pere, Bartholomew, Amymarie K., Stone, Ilana, Conejeros, Sergio, Paley, Daniel W., Hernández Sánchez, Raúl, Fowler, Brandon, Peurifoy, Samuel R., Náfrádi, Bálint, Forró, László, Roy, Xavier, Batail, Patrick, Canadell, Enric, Steigerwald, Michael L., and Nuckolls, Colin
Abstract: Recent interest in potassium-doped p-terphenyl has been fueled by reports of superconductivity at Tc values surprisingly high for organic compounds. Despite these interesting properties, studies of the structure–function relationships within these materials have been scarce. Here, we isolate a phase-pure crystal of potassium-doped p-terphenyl: [K(222)]2[p-terphenyl3]. Emerging antiferromagnetism in the anisotropic structure is studied in depth by magnetometry and electron spin resonance. Combining these experimental results with density functional theory calculations, we describe the antiferromagnetic coupling in this system that occurs in all 3 crystallographic directions. The strongest coupling was found along the ends of the terphenyls, where the additional electron on neighboring p-terphenyls antiferromagnetically couple. This delocalized bonding interaction is reminiscent of the doubly degenerate resonance structure depiction of polyacetylene. These findings hint toward magnetic fluctuation-induced superconductivity in potassium-doped p-terphenyl, which has a close analogy with high Tc cuprate superconductors. The new approach described here is very versatile as shown by the preparation of two additional salts through systematic changing of the building blocks.
Published: 2020

46. Statistical physics of flux-carrying Brownian particles

Author: Air Force Office of Scientific Research (US), Valido, Antonio A., Air Force Office of Scientific Research (US), and Valido, Antonio A.
Abstract: Chern–Simons gauge field theory has provided a natural framework to gain deep insight about many novel phenomena in two-dimensional condensed matter. We investigate the nonequilibrium thermodynamics properties of a (two-dimensional) dissipative harmonic particle when the Abelian topological gauge action and the (linear) Brownian motion dynamics are treated on an equal footing. We find out that the particle exhibits remarkable magneticlike features in the quantum domain that are beyond the celebrated Landau diamagnetism: this could be viewed as the non-relativistic Brownian counterpart of the composite excitation of a charge and magneticlike flux. Interestingly, it is shown that the properties of such flux-carrying Brownian particle are in good agreement with the classical statistical mechanics at sufficient high temperatures, as well as are widely consistent with the Third Law of thermodynamics in the studied dissipative scenarios. Our findings also suggest that its ground state may be far from trivial, i.e. it is a seemingly degenerate state.
Published: 2020

47. Wigner instability analysis of the damped Hirota equation

Author: Nazarbayev University, Air Force Office of Scientific Research (US), Assaubay, A. T., Castro, Alejandro J., Valido, Antonio A., Nazarbayev University, Air Force Office of Scientific Research (US), Assaubay, A. T., Castro, Alejandro J., and Valido, Antonio A.
Abstract: We address the modulation instability of the Hirota equation in the presence of stochastic spatial incoherence and linear time-dependent amplification/attenuation processes via the Wigner function approach. We show that the modulation instability remains baseband type, though the damping mechanisms substantially reduce the unstable spectrum independent of the higher-order contributions (e.g. the higher-order nonlinear interaction and the third-order dispersion). Additionally, we find out that the unstable structure due to the Kerr interaction exhibits a significant resilience to the third-order-dispersion stabilizing effects in comparison with the higher-order nonlinearity, as well as a moderate Lorentzian spectrum damping may assist the rising of instability. Finally, we also discuss the relevance of our results in the context of current experiments exploring extreme wave events driven by the modulation instability (e.g. the generation of the so-called rogue waves).
Published: 2020

48. Terahertz and infrared nonlocality and field saturation in extreme-scale nanoslits

Author: Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Gobierno de Aragón, Air Force Office of Scientific Research (US), National Science Foundation (US), Vidal-Codina, Ferran, Martín-Moreno, Luis, Ciracì, Cristian, Yoo, Daehan, Nguyen, Ngoc-Cuong, Oh, Sang-Hyun, Peraire, Jaime, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Gobierno de Aragón, Air Force Office of Scientific Research (US), National Science Foundation (US), Vidal-Codina, Ferran, Martín-Moreno, Luis, Ciracì, Cristian, Yoo, Daehan, Nguyen, Ngoc-Cuong, Oh, Sang-Hyun, and Peraire, Jaime
Abstract: With advances in nanofabrication techniques, extreme-scale nanophotonic devices with critical gap dimensions of just 1-2 nm have been realized. The plasmonic response in these extreme-scale gaps is significantly affected by nonlocal electrodynamics, quenching field enhancement and blue-shifting the resonance with respect to a purely local behavior. The extreme mismatch in lengthscales, ranging from millimeter-long wavelengths to atomic-scale charge distributions, poses a daunting computational challenge. In this paper, we perform computations of a single nanoslit using the hybridizable discontinuous Galerkin method to solve Maxwell’s equations augmented with the hydrodynamic model for the conduction-band electrons in noble metals. This method enables the efficient simulation of the slit while accounting for the nonlocal interactions between electrons and the incident light. We study the impact of gap width, film thickness and electron motion model on the plasmon resonances of the slit for two different frequency regimes: (1) terahertz frequencies, which lead to 1000-fold field amplitude enhancements that saturate as the gap shrinks; and (2) the near- and mid-infrared regime, where we show that narrow gaps and thick films cluster Fabry-Pérot (FP) resonances towards lower frequencies, derive a dispersion relation for the first FP resonance, in addition to observing that nonlocality boosts transmittance and reduces enhancement.
Published: 2020

49. Global quieting of high-frequency seismic noise due to COVID-19 pandemic lockdown measures

Author: Royal Society (UK), German Research Centre for Geosciences, Boğaziçi Üniversity, Netherlands Organization for Scientific Research, Air Force Office of Scientific Research (US), National Science Foundation (US), Consejo Nacional de Ciencia y Tecnología (México), Universidad Nacional Autónoma de México, Agencia Nacional de Investigación y Desarrollo (Chile), Natural Environment Research Council (UK), University of California, Commonwealth Scientific and Industrial Research Organisation (Australia), Belgian Science Policy Office, Fonds National de la Recherche Luxembourg, Lecocq, Thomas [0000-0002-4988-6477], Hicks, Stephen [0000-0002-7476-3284], Noten, Koen Van [0000-0001-8933-4426], Wijk, Kasper van [0000-0003-4994-8030], Plaen, Raphael de [0000-0003-3477-2001], Massin, Frédérick [0000-0002-7532-5139], Hillers, Gregor [0000-0003-2341-1892], Apoloner, Maria-Theresia [0000-0002-4006-1284], Arroyo-Solórzano, Mario [0000-0002-1653-2680], Assink, Jelle [0000-0002-4990-6845], Büyükakpınar, Pinar [0000-0001-8461-674X], Cannata, Andrea [0000-0002-0028-5822], Cannavó, Flavio [0000-0001-7550-8579], Carrasco, Sebastián [0000-0002-6207-8757], Caudron, Corentin [0000-0002-3748-0007], Chaves, Esteban [0000-0002-5724-1513], Cornwell, David G. [0000-0002-9843-7811], Craig, David [0000-0001-9414-1725], Diaz, J. [0000-0003-1801-0541], Donner, Stefanie [0000-0001-7351-8079], Evangelidis, Christos [0000-0001-8733-8984], Evers, Läslo [0000-0003-2825-6211], Fernández, Gonzalo A. [0000-0001-8284-9566], Giannopoulos, Dimitrios [0000-0002-8314-0759], Gibbons, Steven J. [0000-0002-7822-0244], Girona, Társilo [0000-0001-6422-0422], Grecu, Bogdan [0000-0002-7662-996X], Grunberg, Marc [0000-0002-1307-7790], Hetényi, Gyorgy [0000-0001-9036-4761], Horleston, Anna [0000-0002-6748-6522], Inza, Adolfo [0000-0001-5381-9042], Irving, Jessica C. E. [0000-0002-0866-8246], Jamalreyhani, Mohammadreza [0000-0003-4181-7175], Kafka, Alan [0000-0001-6643-1602], Labedz, Celeste [0000-0001-7339-2170], Lindsey, Nathaniel [0000-0001-9522-6683], McKinno, Mika [0000-0002-9274-0377], Megies, Tobias [0000-0002-5033-9921], Miller, Meghan [0000-0001-5494-2296], Minarik, William [0000-0001-5509-5543], Moresi, Louis [0000-0003-3685-174X], Márquez-Ramirez, V. H. [0000-0003-1494-2229], Möllhoff, Martin [0000-0003-1848-1554], Nesbitt, Ian M. [0000-0001-5828-6070], Niyogi, Shankho [0000-0002-8362-4569], Ojeda, Javier [0000-0002-7188-8356], Oth, Adrien [0000-0003-4859-6504], Proud, Simon [0000-0003-3880-6774], Retailleau, Lise [0000-0002-0711-4540], Satriano, Claudio [0000-0002-3039-2530], Savage, Martha [0000-0002-2080-0676], Shani-Kadmiel, Shahar [0000-0003-2215-6164], Sleeman,Reinoud [0000-0002-1928-5056], Sokos, Efthimios [0000-0002-7742-7251], Stott, Alexander [0000-0001-6121-705X], Subedi, Shiba [0000-0002-7009-7333], Sørensen, Mathilde [0000-0002-8589-7480], Taira, Taka'aki [0000-0002-6170-797X], Turhan, Fatih [0000-0003-4612-7421], Pluijm, Ben van der [0000-0001-7737-2791], Vergne, Jérôme [0000-0003-1731-9360], Vuorinen, Tommi A. T. [0000-0002-8186-012X], Warren, Tristram [0000-0003-3877-0046], Wassermann, Joachim [0000-0002-4088-1792], Xiao, Han [0000-0001-8727-8053], Lecocq, Thomas, Hicks, Stephen, Noten, Koen Van, Wijk, Kasper van, Koelemeijer, Paula, Plaen, Raphael de, Massin, Frédérick, Hillers, Gregor, Anthony, Robert E., Apoloner, Maria-Theresia, Arroyo-Solórzano, Mario, Assink, Jelle, Büyükakpınar, Pinar, Cannata, Andrea, Cannavó, Flavio, Carrasco, Sebastián, Caudron, Corentin, Chaves, Esteban, Cornwell, David G., Craig, David, Ouden, Olivier F. C. den, Diaz, J., Donner, Stefanie, Evangelidis, Christos, Evers, Läslo, Fauville, Benoit, Fernández, Gonzalo A., Giannopoulos, Dimitrios, Gibbons, Steven J., Girona, Társilo, Grecu, Bogdan, Grunberg, Marc, Hetényi, Gyorgy, Horleston, Anna, Inza, Adolfo, Irving, Jessica C. E., Jamalreyhani, Mohammadreza, Kafka, Alan, Koymans, Mathijs R., Labedz, Celeste, Larose, Eric, Lindsey, Nathaniel, McKinno, Mika, Megies, Tobias, Miller, Meghan, Minarik, William, Moresi, Louis, Márquez-Ramirez, V. H., Möllhoff, Martin, Nesbitt, Ian M., Niyogi, Shankho, Ojeda, Javier, Oth, Adrien, Proud, Simon, Pulli, Jay, Retailleau, Lise, Rintamäki, Annukka E., Satriano, Claudio, Savage, Martha, Shani-Kadmiel, Shahar, Sleeman,Reinoud, Sokos, Efthimios, Stott, Alexander, Subedi, Shiba, Sørensen, Mathilde, Taira, Taka'aki, Tapia, Mar, Turhan, Fatih, Pluijm, Ben van der, Vergne, Jérôme, Vuorinen, Tommi A. T., Warren, Tristram, Wassermann, Joachim, Xiao, Han, Royal Society (UK), German Research Centre for Geosciences, Boğaziçi Üniversity, Netherlands Organization for Scientific Research, Air Force Office of Scientific Research (US), National Science Foundation (US), Consejo Nacional de Ciencia y Tecnología (México), Universidad Nacional Autónoma de México, Agencia Nacional de Investigación y Desarrollo (Chile), Natural Environment Research Council (UK), University of California, Commonwealth Scientific and Industrial Research Organisation (Australia), Belgian Science Policy Office, Fonds National de la Recherche Luxembourg, Lecocq, Thomas [0000-0002-4988-6477], Hicks, Stephen [0000-0002-7476-3284], Noten, Koen Van [0000-0001-8933-4426], Wijk, Kasper van [0000-0003-4994-8030], Plaen, Raphael de [0000-0003-3477-2001], Massin, Frédérick [0000-0002-7532-5139], Hillers, Gregor [0000-0003-2341-1892], Apoloner, Maria-Theresia [0000-0002-4006-1284], Arroyo-Solórzano, Mario [0000-0002-1653-2680], Assink, Jelle [0000-0002-4990-6845], Büyükakpınar, Pinar [0000-0001-8461-674X], Cannata, Andrea [0000-0002-0028-5822], Cannavó, Flavio [0000-0001-7550-8579], Carrasco, Sebastián [0000-0002-6207-8757], Caudron, Corentin [0000-0002-3748-0007], Chaves, Esteban [0000-0002-5724-1513], Cornwell, David G. [0000-0002-9843-7811], Craig, David [0000-0001-9414-1725], Diaz, J. [0000-0003-1801-0541], Donner, Stefanie [0000-0001-7351-8079], Evangelidis, Christos [0000-0001-8733-8984], Evers, Läslo [0000-0003-2825-6211], Fernández, Gonzalo A. [0000-0001-8284-9566], Giannopoulos, Dimitrios [0000-0002-8314-0759], Gibbons, Steven J. [0000-0002-7822-0244], Girona, Társilo [0000-0001-6422-0422], Grecu, Bogdan [0000-0002-7662-996X], Grunberg, Marc [0000-0002-1307-7790], Hetényi, Gyorgy [0000-0001-9036-4761], Horleston, Anna [0000-0002-6748-6522], Inza, Adolfo [0000-0001-5381-9042], Irving, Jessica C. E. [0000-0002-0866-8246], Jamalreyhani, Mohammadreza [0000-0003-4181-7175], Kafka, Alan [0000-0001-6643-1602], Labedz, Celeste [0000-0001-7339-2170], Lindsey, Nathaniel [0000-0001-9522-6683], McKinno, Mika [0000-0002-9274-0377], Megies, Tobias [0000-0002-5033-9921], Miller, Meghan [0000-0001-5494-2296], Minarik, William [0000-0001-5509-5543], Moresi, Louis [0000-0003-3685-174X], Márquez-Ramirez, V. H. [0000-0003-1494-2229], Möllhoff, Martin [0000-0003-1848-1554], Nesbitt, Ian M. [0000-0001-5828-6070], Niyogi, Shankho [0000-0002-8362-4569], Ojeda, Javier [0000-0002-7188-8356], Oth, Adrien [0000-0003-4859-6504], Proud, Simon [0000-0003-3880-6774], Retailleau, Lise [0000-0002-0711-4540], Satriano, Claudio [0000-0002-3039-2530], Savage, Martha [0000-0002-2080-0676], Shani-Kadmiel, Shahar [0000-0003-2215-6164], Sleeman,Reinoud [0000-0002-1928-5056], Sokos, Efthimios [0000-0002-7742-7251], Stott, Alexander [0000-0001-6121-705X], Subedi, Shiba [0000-0002-7009-7333], Sørensen, Mathilde [0000-0002-8589-7480], Taira, Taka'aki [0000-0002-6170-797X], Turhan, Fatih [0000-0003-4612-7421], Pluijm, Ben van der [0000-0001-7737-2791], Vergne, Jérôme [0000-0003-1731-9360], Vuorinen, Tommi A. T. [0000-0002-8186-012X], Warren, Tristram [0000-0003-3877-0046], Wassermann, Joachim [0000-0002-4088-1792], Xiao, Han [0000-0001-8727-8053], Lecocq, Thomas, Hicks, Stephen, Noten, Koen Van, Wijk, Kasper van, Koelemeijer, Paula, Plaen, Raphael de, Massin, Frédérick, Hillers, Gregor, Anthony, Robert E., Apoloner, Maria-Theresia, Arroyo-Solórzano, Mario, Assink, Jelle, Büyükakpınar, Pinar, Cannata, Andrea, Cannavó, Flavio, Carrasco, Sebastián, Caudron, Corentin, Chaves, Esteban, Cornwell, David G., Craig, David, Ouden, Olivier F. C. den, Diaz, J., Donner, Stefanie, Evangelidis, Christos, Evers, Läslo, Fauville, Benoit, Fernández, Gonzalo A., Giannopoulos, Dimitrios, Gibbons, Steven J., Girona, Társilo, Grecu, Bogdan, Grunberg, Marc, Hetényi, Gyorgy, Horleston, Anna, Inza, Adolfo, Irving, Jessica C. E., Jamalreyhani, Mohammadreza, Kafka, Alan, Koymans, Mathijs R., Labedz, Celeste, Larose, Eric, Lindsey, Nathaniel, McKinno, Mika, Megies, Tobias, Miller, Meghan, Minarik, William, Moresi, Louis, Márquez-Ramirez, V. H., Möllhoff, Martin, Nesbitt, Ian M., Niyogi, Shankho, Ojeda, Javier, Oth, Adrien, Proud, Simon, Pulli, Jay, Retailleau, Lise, Rintamäki, Annukka E., Satriano, Claudio, Savage, Martha, Shani-Kadmiel, Shahar, Sleeman,Reinoud, Sokos, Efthimios, Stott, Alexander, Subedi, Shiba, Sørensen, Mathilde, Taira, Taka'aki, Tapia, Mar, Turhan, Fatih, Pluijm, Ben van der, Vergne, Jérôme, Vuorinen, Tommi A. T., Warren, Tristram, Wassermann, Joachim, and Xiao, Han
Abstract: Human activity causes vibrations that propagate into the ground as high-frequency seismic waves. Measures to mitigate the COVID-19 pandemic caused widespread changes in human activity, leading to a months-long reduction in seismic noise of up to 50%. The 2020 seismic noise quiet period is the longest and most prominent global anthropogenic seismic noise reduction on record. While the reduction is strongest at surface seismometers in populated areas, this seismic quiescence extends for many kilometers radially and hundreds of meters in depth. This provides an opportunity to detect subtle signals from subsurface seismic sources that would have been concealed in noisier times and to benchmark sources of anthropogenic noise. A strong correlation between seismic noise and independent measurements of human mobility suggests that seismology provides an absolute, real-time estimate of population dynamics.
Published: 2020

50. Extraordinarily transparent compact metallic metamaterials

Author: Imperial College London, Engineering and Physical Sciences Research Council (UK), Ministerio de Economía y Competitividad (España), Xunta de Galicia, Generalitat de Catalunya, Banco Santander, European Commission, Air Force Office of Scientific Research (US), German Research Foundation, Leverhulme Trust, Consejo Superior de Investigaciones Científicas (España), SCOAP, Ministerio de Ciencia, Innovación y Universidades (España), Palmer, S.J., Xiao, X., Pazos-Perez, N., Guerrini, L., Correa-Duarte, Miguel A., Maier, S.A., Craster, R.V., Álvarez-Puebla, Ramón, Giannini, V., Imperial College London, Engineering and Physical Sciences Research Council (UK), Ministerio de Economía y Competitividad (España), Xunta de Galicia, Generalitat de Catalunya, Banco Santander, European Commission, Air Force Office of Scientific Research (US), German Research Foundation, Leverhulme Trust, Consejo Superior de Investigaciones Científicas (España), SCOAP, Ministerio de Ciencia, Innovación y Universidades (España), Palmer, S.J., Xiao, X., Pazos-Perez, N., Guerrini, L., Correa-Duarte, Miguel A., Maier, S.A., Craster, R.V., Álvarez-Puebla, Ramón, and Giannini, V.
Abstract: The design of achromatic optical components requires materials with high transparency and low dispersion. We show that although metals are highly opaque, densely packed arrays of metallic nanoparticles can be more transparent to infrared radiation than dielectrics such as germanium, even when the arrays are over 75% metal by volume. Such arrays form effective dielectrics that are virtually dispersion-free over ultra-broadband ranges of wavelengths from microns up to millimeters or more. Furthermore, the local refractive indices may be tuned by altering the size, shape, and spacing of the nanoparticles, allowing the design of gradient-index lenses that guide and focus light on the microscale. The electric field is also strongly concentrated in the gaps between the metallic nanoparticles, and the simultaneous focusing and squeezing of the electric field produces strong ‘doubly-enhanced’ hotspots which could boost measurements made using infrared spectroscopy and other non-linear processes over a broad range of frequencies.
Published: 2019

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