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In this work we propose new structure-preserving multiple time stepping methods for numerical simulation of charge transfer by intrinsic localized modes in nonlinear crystal lattice models. We consider, without loss of generality, one-dimensional crystal lattice models described by classical Hamiltonian dynamics, whereas charge (electron or hole) is modeled as a quantum particle within the tight-binding approximation. Proposed multiple time stepping schemes are based on symplecticity-preserving symmetric splitting methods recently developed by the authors. Originally developed explicit splitting methods do not exactly conserve total charge probability, thus, to improve charge probability conservation and to better resolve high frequency oscillations of the charge in numerical simulations with large time steps we incorporate multiple time stepping approach when solving split charge equations. Improved numerical results with multiple time stepping methods of charge transfer by mobile discrete breathers are demonstrated in a crystal lattice model example.

A research model to simulate the propagation of tsunamis caused by different mechanisms was developed in this paper. These mechanisms are submarine earthquakes, landslides and collapse of volcano calderas. The model is based upon the non-linear shallow-water hydrodynamic equations with horizontal viscosity and friction with the seabed. It also includes a flooding/drying algorithm. This model was tested by applying it to several past tsunamis and comparisons of results with available data and/or other models. The objective of this paper is to present a summary on the application of the model to historical tsunamis occurred in European waters: Atlantic Ocean, Mediterranean Sea and Caspian Sea. Additionally, two application examples on how the research model can be used to confront different candidate tsunami sources and to discard scenarios of catastrophic floodings initially attributed to tsunamis presented: the Santorini tsunami sequence and the flooding of the Gulf of Tartessos in SW Spain.

Juan Martínez Montañés was one of the most important sculptors and altarpiece architectsof the Spanish Golden Age. The restoration of the Santa Clara church in Seville has presented a unique opportunity to study the main altarpiece, crafted by Montañés between 1621 and 1623. He was also in charge of the polychromy and gilding, believing that delegating these procedures to others would diminish the quality of his work. This conviction led to a well-known lawsuit with the renowned contemporary Spanish painter Francisco Pacheco. Ultimately, the painter and sculptor Baltasar Quintero performed the polychromy of this altarpiece, but under the strict conditions of Montañés. Various non-invasive analytical techniques, such as CT, UVF, XRF, and digital microscopy, were employed to study woodtreatment and polychromy. Additionally, three samples were prepared as cross-sections and analysed by SEM-EDX. The results revealed Montañés’ meticulous woodwork, anticipating its long-term preservation. Consistent with Montañés’ commitment to maintaining the superior quality of his work, the analysis showed an absence of a ground layer in the flesh areas, while the gilding was executed with high-quality gold. The pigment palette corresponds to the treaties and documents of his time, and the extensive areas of later retouches were accurately located. These new data provide a deeper understanding of both the technique and the high standards of one of the most important and globally recognised sculptors.

A numerical model which simulates the adsorption of radionuclides by migrating bluefin tuna in the Mediterranean Sea is described, in order to determine the level of contamination of these fish after a hypothetical nuclear accident and thus be able to assess the possible impact on human consumption. A 4–species foodweb model is incorporated into a Lagrangian model describing physical transport (advection, mixing, radioactive decay and interactions of radionuclides with sediments). Tuna is the last trophic level in the foodweb model and the equation providing the temporal evolution of radionuclide concentration in its flesh is solved along the fish trajectories, which were obtained through electronic tagging of fishes. The model was applied to the western Mediterranean, where several worst–case hypothetical accidents were simulated, both from a coastal nuclear power plant and from a vessel. Resulting 137Cs concentrations in migrating tuna were similar, or slightly higher, than reported background concentrations in these fishes and well below established safety levels. Maximum calculated concentrations in tuna flesh is in the order of 1 Bq/kg (wet weight). This is due to the rapid movement of the fishes, which spend only limited time over the most contaminated spots.

This study explores the impact of plasma treatment on Lavandin Grosso flowers and its influence on the extraction of essential oils (EOs) via hydrodistillation. Short plasma treatment times enhance the yield of EO extraction from 3.19% in untreated samples to 3.44%, corresponding to 1 min of plasma treatment, while longer treatment times (10 min) show diminishing returns to 3.07% of yield extraction. Chemical characterization (GC/MS and ATR-FTIR) indicates that plasma treatments do not significantly alter the chemical composition of the extracted EOs, preserving their aromatic qualities. Investigations into plasma–surface interactions reveal changes at the nanometer level, with XPS confirming alterations in the surface chemistry of Lavandin Grosso flowers by reducing surface carbon and increasing oxygen content, ultimately resulting in an increased presence of hydrophilic groups. The presence of hydrophilic groups enhances the interaction between the surface membrane of the glandular trichomes on Lavandin Grosso flowers and water vapor, consequently increasing the extraction of EOs. Furthermore, microscopic SEM examinations demonstrate that plasma treatments do not affect the morphology of glandular trichomes, emphasizing that surface modifications primarily occur at the nanoscale. This study underscores the potential of plasma technology as a tool to enhance EO yields from botanical sources while maintaining their chemical integrity.

Halide-perovskite alloys that include cesium have achieved records of stability and efficiency in solar cells. Controlling the surface composition, defects, and electronic properties guarantees interface stability and improves performance. By using density functional theory and molecular dynamic simulations, we analyzed which surface compositions of the formamidinium (FA) and cesium (Cs) lead iodide perovskite FA₁₋ₓCsₓPbl₃ with 25 and 50% of Cs become more stable than pure perovskites. Structural and electronic properties and tolerance to defect formation were also evaluated. Surface energy calculations show that only the alloys with 25% Cs and F Al-enriched surfaces are more stable than pure FAPbl₃ ones. The most stable alloy surface shows electronic energy levels similar to the FAPbl₃ perovskite, suggesting that this alloy may also be efficient for charge transport in the cell. However, the presence of Cs on the alloy surface, although low, favors the formation of FAI vacancies, which is detrimental to the stability of the perovskite. These results suggest evaluating FA₁₋ₓCsₓPbl₃ alloys with small Cs compositions to mitigate the formation of defects or using a passivation scherne. This study delivers valuable information for efficiency device improvement from the perspective of interface stability.

Applying amplitude modulations to a parametrically excited damped pendulum is shown to be a reliable method to control (suppress or enhance) its chaotic behaviour. Analytical (Melnikov analysis) and numerical (Lyapunov exponents and bifurcation diagrams) results show an effective control scenario for a wide range of resonances between the two excitations implicated. Different routes of regularization as the chaos-controlling parameters vary are identified, including period-doubling and crises. The method’s effectiveness at suppressing spatiotemporal chaos of starlike networks of sinusoidally coupled chaotic pendula is demonstrated where effective regularization is obtained under localized control on an increasing number of pendula.

Strain engineering, as a powerful strategy to tune the optical and electrical properties of two-dimensional (2D) materials by deforming their crystal lattice, has attracted significant interest in recent years. 2D materials can sustain ultra-high strains, even up to 10%, due to the lack of dangling bonds on their surface, making them ideal brittle solids. This remarkable mechanical resilience, together with a strong strain-tunable band structure, endows 2D materials with a broad optical and electrical response upon strain. However, strain engineering based on 2D materials is restricted by their nanoscale and strain quantification troubles. In this study, we have modified a homebuilt three-points bending apparatus to transform it into a four-points bending apparatus that allows for the application of both compressive and tensile strains on 2D materials. This approach allows for the efficient and reproducible construction of a strain system and minimizes the buckling effect caused by the van der Waals interaction by adamantane encapsulation strategy. Our results demonstrate the feasibility of introducing compressive strain on 2D materials and the potential for tuning their optical and physical properties through this approach.

The morphology of numerous nanocolumnar thin films deposited by the magnetron sputtering technique at oblique geometries and at relatively low temperatures has been analyzed for materials as different as Au, Pt, Ti, Cr, TiO₂, Al, HfN, Mo, V, WO₃ and W. Despite similar deposition conditions, two characteristic nanostructures have been identified depending on the material: a first one defined by highly tilted and symmetric nanocolumnar structures with a relatively high film density, and a second one characterized by rather vertical and asymmetric nanocolumns, with a much lower film density. With the help of a model, the two characteristic nanostructures have been linked to different growth dynamics and, specifically, to different surface relaxation mechanisms upon the incorporation of gaseous species with kinetic energies above the surface binding energy. Moreover, in the case of Ti, a smooth structural transition between the two types of growths has been found when varying the value of the power used to maintain the plasma discharge. Based on these results, the existence of different surface relaxation mechanisms is proposed, which quantitatively explains numerous experimental results under the same conceptual framework.

This article proposes a ray-tracing and physical-optics (RT-PO) model that allows for an accurate and time-efficient evaluation of planar Mikaelian lens antennas implemented by parallel plate waveguides. With an intrinsic flat shape and axis-symmetry of refractive-index distribution characteristic, the planar Mikaelian lens antennas are easy to fabricate and integrate to standard planar feeds. A numerical computation of the ray paths based on the Snell’s law gives a description of the phase of the electric field in the lens aperture, while the ray-tube power conservation theory is employed to evaluate the amplitude. The field equivalence principle is then used to calculate the far field of the lens antenna. The information of far-field directivity, gain, and dielectric efficiency is further obtained, considering a small loss in the dielectric materials. Our approach is validated by comparing the results of a particular Mikaelian lens antenna with those computed using a commercial full-wave simulator, demonstrating high accuracy and significant reduction in computation resources and times.

We explore the inclusion of vaccination in compartmental epidemiological models concerning the delta and omicron variants of the SARS-CoV-2 virus that caused the COVID-19 pandemic. We expand on our earlier compartmental-model work by incorporating vaccinated populations. We present two classes of models that differ depending on the immunological properties of the variant. The first one is for the delta variant, where we do not follow the dynamics of the vaccinated individuals since infections of vaccinated individuals were rare. The second one for the far more contagious omicron variant incorporates the evolution of the infections within the vaccinated cohort. We explore comparisons with available data involving two possible classes of counts, fatalities and hospitalizations. We present our results for two regions, Andalusia and Switzerland (including the Principality of Liechtenstein), where the necessary data are available. In the majority of the considered cases, the models are found to yield good agreement with the data and have a reasonable predictive capability beyond their training window, rendering them potentially useful tools for the interpretation of the COVID-19 and further pandemic waves, and for the design of intervention strategies during these waves.

180 p., Esta tesis se centra en el estudio de materiales ferromagnéticos bidimensionales. En concreto, en las aleaciones superficiales de Tierra Rara (RE) y Metal Noble (NM) y su interacción con monocapas (ML) de moléculas magnéticas. Las aleaciones superficiales de Tierra Rara (RE) y Metal Noble (NM) se han producido mediante la evaporación de RE sobre las superficies Au(111) y Ag(111). Posteriormente se han evaporado térmicamente las monocapas de CuPc y TbPc2. Su estructura tanto de las aleaciones superficiales como de las monocapas depositadas encima se ha estudiado mediante microscopia de efecto túnel (STM) y difracción de electrones de baja energía (LEED). La estructura electrónica tanto de las aleaciones superficiales como las capas de moléculas se ha estudiado mediante varias variante de photoemisión (PES): de rayos-X (XPS) resonante (res-PES) y resuelta en angulo (ARPES). El comportamiento magnético de las aleaciones se ha estudiado mediante dicroísmo magnético de Rayos X (XMCD). También se ha usado XMCD para el estudio del acoplo magnético entre las moléculas y las aleaciones superficiales

Magnetic microwires with amorphous structures can present a unique combination of excellent magnetic softness and giant magnetoimpedance (GMI) effects together with reduced dimensions and good mechanical properties. Such unique properties make them suitable for various technological applications. The high GMI effect, observed in as-prepared Co-rich microwires, can be further optimized by postprocessing. However, unexpected magnetic hardening and a transformation of the linear hysteresis loop into a rectangular loop with a coercivity on the order of 90 A/m were observed in several Co-rich microwires upon conventional annealing. Several routes to improve magnetic softness and GMI effect in Fe- and Co-rich magnetic microwires are provided. We observed that stress annealing could remarkably improve the magnetic softness and GMI ratio of Co-rich microwires. Thus, almost unhysteretic loops with a coercivity of 2 A/m and a magnetic anisotropy field of about 70 A/m are achieved in Co-rich microwires stress annealed at appropriate conditions. The observed change in hysteresis loops and the GMI effect is explained by stress-annealing-induced anisotropy, which is affected by the stresses applied during annealing and by the annealing temperature. While as-prepared Fe-rich amorphous microwires present a low GMI effect, appropriate postprocessing (annealing and stress annealing) allows for a remarkable GMI ratio improvement (an order of magnitude). The evaluated dependence of the maximum GMI ratio on frequency allows the identification of the optimal frequency band for the studied samples. The origin of stress-annealing-induced anisotropy and related changes in hysteresis loops and the GMI effect are discussed in terms of the relaxation of internal stresses, “back-stresses”, as well as structural anisotropy.

This review describes the dynamic phenomena in the atmosphere of Mars that are visible in images taken in the visual range through cloud formation and dust lifting. We describe the properties of atmospheric features traced by aerosols covering a large range of spatial and temporal scales, including dynamical interpretations and modelling when available. We present the areographic distribution and the daily and seasonal cycles of those atmospheric phenomena. We rely primarily on images taken by cameras on Mars Express.

We show that a double-twisted ABC trilayer graphene, formed by stacking two ABC trilayers with a rotation angle between them, is a semiconductor with a gap of about 30 meV. Importantly, flat bands in the electronic structure are observed even for large angles, and the localization of electrons follows the same pattern as in ABC trilayer graphene. Our first-principles calculations show that this behavior holds at least for rotation angles from 7 to 21 degrees. We further study the charge redistribution as a function of the angle. Below two degrees, the charge escapes from the rotated layers and AA zones, moving to the outer layers. This behavior is general for any ABA trilayer with one of the outer layers twisted (ABT). Our findings shed light on some peculiarities of rotated graphene, explaining the absence of a superconductivity phase on these double-trilayer and ABT systems.

Soil redistribution by water and tillage soil erosion has a profound effect on the spatial variability of soil security indicators. In this study, we assess the potential of estimating long-term soil redistribution rates across a Mediterranean olive orchard catchment using two methods: 239+240Pu and the WaTEM/SEDEM model. Additionally, we identify potential sources of uncertainty explain result discrepancies, and offer guidance for reducing uncertainty. Soil sampling points were taken both in the inter-row areas and below the tree canopies and 239+240Pu inventories were converted into soil redistribution rates using MODERN. Sediment yield data measured in the catchment outlet is used to calibrate WaTEM/SEDEM. The results show a poor agreement between both methods. In this sense, these results indicate that both methods are considerably affected by several sources of uncertainty, both inherent to the methods themselves and related to the specific conditions of the study area. The latter are mainly related to anthropogenic changes in the soil surface related to soil tillage and rill filling practices and an important past land leveling effect. Despite the discrepancies, both methods convey a similar overarching message: soil security and olive production can be highly threatened in the Mediterranean in the next decades. This study demonstrates the potential advantages of combining FRN-based estimates and model simulations and highlights the importance of selecting an appropriate study area in this type of studies and the need to recognize associated uncertainties when estimating soil redistribution rates, whether employing FRN-based or modelling methods.

The non-destructive detection of defects in materials, such as cracks, delaminations and others, is a critical issue to be addressed in many technological applications like automotive, aeronautical or aerospace industries. In this frame, lock-in infrared thermography is identified as a highly suitable solution offering not only a qualitative detection of the defects but also their quantitative characterization. With the goal of maximizing its capabilities on the crack detection and characterization, in this work, a dimensionless numerical global sensitivity analysis of the lock-in infrared thermography is developed. First, a complete dimensionless reformulation of the thermographic investigation is provided, not only limited to the defect geometrical parameters, but also including the corresponding experimental parameters. As a consequence, the constraints of particular experimental setups or material properties can be removed by means of an appropriate choice of length, time and temperature scales. This leads to a set of dimensionless parameters and equations which preserve the full physical information of the experiment. The resulting model has been numerically solved and successfully validated by using experimental thermographic data over laboratory calibrated cracked material samples. Second, the developed dimensionless numerical model has been used as input for a global sensitivity analysis able to determine the correlations between the proposed dimensionless parameters and their corresponding impact on the thermographic results. Furthermore, the ranges of sensitivity and predominance of each dimensionless parameter are obtained, which provide quantitative parametric selection criteria for a maximized efficiency and accuracy on the thermographic crack detection and characterization.

This research delves into the nuanced dynamics influencing photocurrent generated in bifacial photovoltaic modules within the framework of agrovoltaic applications. Our findings underscore the necessity of using spectral data over absolute values regards to the wavelength dependence for precise energy yield predictions. Particularly, it is demonstrated that the ground reflectance plays a pivotal role. The type of soil (compact or tilled) and crop growth cycle contribute to temporal variations, significantly affecting energy production. In order to validate the proposed methodology for estimating photocurrent generated by APV systems based on spectral data, we conducted tests in two different irradiance conditions, deliberately chosen for their contrast: clear sky and hazy sky conditions. Experimental measurements were conducted for global, direct, and diffuse irradiance spectral components in both atmospheric scenarios. Additionally, we performed comprehensive spectral reflectance measurements for various soil types and crops throughout an entire growth cycle to depict the temporal variations in these values. It is observed an overestimation in the ratio between front and rear photocurrent generated by the bifacial PV module when the model relies on absolute values of solar irradiance and ground reflectance, compared to utilizing spectral input data. Furthermore, the analysis of absolute values fails to reveal a significant dependence on atmospheric conditions. In summary, this research discussed the implications of spectral data, geometry and atmospheric conditions, for bifacial PV modules in agrovoltaic applications.

Eisenbud–Wigner–Smith delay and the Larmor time give different estimates for the duration of a quantum scattering event. The difference is most pronounced in the case where the de Broglie wavelength is large compared to the size of the scatterer. We use the methods of quantum measurement theory to analyse both approaches and to decide which one of them, if any, describes the duration a particle spends in the region that contains the scattering potential. The cases of transmission, reflection, and three-dimensional elastic scattering are discussed in some detail.

The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures that have been required in experiments so far. Here, we propose a family of compounds, of composition Mg2XH6 with X = Rh, Ir, Pd, or Pt, that achieves this goal. These materials were identified by scrutinizing more than a million compounds using a machine-learning accelerated high-throughput workflow. We predict that their superconducting transition temperatures are in the range of 45–80 K, or even above 100 K with appropriate electron doping of the Pt compound. These results indicate that, although very rare, high-temperature superconductivity in hydrides is achievable at room pressure.

Stainless steel (SS) alloys are prevalent in many industries, household appliances or other commodities, where a strict control of surface properties is required to tailor their interaction with the environment. In this work we report a new procedure of stainless steel surface processing that provides a multifunctional response including superhydrophobicity, omniphobicity, self-cleaning, anti-fouling and effective anti-icing capacity, while still preserving a corrosion resistance similar to that of this material in compact form. The method consists of a first nanostructuration step followed by a low fluorination. The nanostructured surfaces presented a dual scale roughness of hierarchical character. The liquid free approach developed in this work to get this singular surface nanostructuration entails a first laser treatment of stainless steel flat substrates, followed by the deposition of a nanostructured thin layer of this material by electron beam evaporation in an oblique angle configuration. The resulting hierarchical surfaces were subjected to fluorination by: (i) the plasma-assisted deposition of a thin Teflon-like coating or (ii) the grafting of fluorinated molecules. The self-cleanable, anti-adherent and ice repellent character of the resulting low fluorinated surfaces outperformed the behaviour of classical slippery surfaces obtained by the infusion of high amounts of fluorinated liquids. These hierarchical SS surfaces withstood mild abrasion tests and the effect of water jets. Moreover, the corrosion behaviour of the fluorinated surfaces determined through their potentiodynamic analysis revealed a similar corrosion resistance than the flat SS substrates. Outstandingly, after these corrosion tests, the fluorinated samples obtained by grafting preserved their surface functionalities without significant degradation. The high mechanical and chemical stability of these low fluorinated samples support their usage for a large variety of applications.

The question of whether features and behaviors that are characteristic to completely integrable systems persist in the transition to non-integrable settings is a central one in the field of nonlinear dispersive equations. In this work, we investigate this topic in the context of focusing nonlinear Schrödinger (NLS) equations. In particular, we consider non-integrable counterparts of the (integrable) focusing cubic NLS equation, which are distinct generalizations of cubic NLS and involve a broad class of nonlinearities, with the cases of power and saturable nonlinearities serving as illustrative examples. This is a notably different direction from the one explored in other works, where the non-integrable models considered are only small perturbations of the integrable one. We study the Cauchy problem on the real line for both vanishing and non-vanishing boundary conditions at infinity and quantify the proximity of solutions between the integrable and non-integrable models via estimates in appropriate metrics as well as pointwise. These results establish that the distance of solutions grows at most linearly with respect to time, while the growth rate of each solution is chiefly controlled by the size of the initial data and the nonlinearity parameters. A major implication of these closeness estimates is that integrable dynamics emerging from small initial conditions may persist in the non-integrable setting for significantly long times. In the case of zero boundary conditions at infinity, this persistence includes soliton and soliton collision dynamics, while in the case of nonzero boundary conditions at infinity, it establishes the nonlinear behavior of the non-integrable models at the early stages of the ubiquitous phenomenon of modulational instability. For this latter and more challenging type of boundary conditions, the closeness estimates are proved with the aid of new results concerning the local existence of solutions to the non-integrable models. In addition

In the present work we explore the potential of models of the discrete nonlinear Schrödinger (DNLS) type to support spatially localized and temporally quasiperiodic solutions on top of a finite background. Such solutions are rigorously shown to exist in the vicinity of the anti-continuum, vanishing-coupling limit of the model. We then use numerical continuation to illustrate their persistence for finite coupling, as well as to explore their spectral stability. We obtain an intricate bifurcation diagram showing a progression of such solutions from simpler ones bearing single- and two-site excitations to more complex, multi-site ones with a direct connection of the branches of the self-focusing and self-defocusing nonlinear regime. We further probe the variation of the solutions obtained towards the limit of vanishing frequency for both signs of the nonlinearity. Our analysis is complemented by exploring the dynamics of the solutions via direct numerical simulations.

This research study assesses the influence of the concentration factor on two different PV technologies: c-Si and CIGS, to analyze the feasibility of utilizing CIGS thin-film technology in Low Concentration Photovoltaic conditions. Additionally, the importance of the encapsulation design is explored to determine the optimum thermal management strategy. The initial phase involves an analysis of the thermal performance of two types of commercial photovoltaic module and explores the enhancement of temperature management in CIGS photovoltaics modules by substituting the rear glass backsheet with an aluminum sheet to reduce the operating temperature of the prototype. Subsequently, various prototypes are fabricated, incorporating CIGS and silicon technologies, and different encapsulation designs: tedlar, glass and aluminum backsheets. The analysis reveals that comparing performance under 2.2× and 1× concentration conditions, CIGS technology exhibits the higher performance at 2.2×, making it a more promising choice for LCPV systems. While CIGS technology boasts an intrinsic advantage because of its open circuit voltage temperature coefficient, its performance enhancement under LCPV conditions is further amplified through the optimization of the backsheet to improve the thermal management.

This article investigates the dispersion properties of metasurfaces with hexagonal lattices, including potential higher symmetric configurations. We explore the relationships between the periodicity of hexagonal lattices and their dispersion properties, paying special attention to how hexagonal periodic structures can be analyzed with either a hexagonal primitive unit cell or a rectangular supercell. We also study the possibility of introducing higher symmetries into hexagonal periodic structures, including glide symmetry and mirrored half-turn symmetry. To complement and validate the analysis, we designed a graded-index Luneburg lens antenna with a dielectric-filled hexagonal holey structure working in the Ka-band. The antenna generates steerable highly directive beams from 26 GHz to 30 GHz, which corroborates our analysis. Our findings provide valuable insight into the dispersion properties of hexagonal-lattice metasurfaces and demonstrate the feasibility of using such structures in practical applications.

We consider a previously experimentally realized discrete model that describes a mechanical metamaterial consisting of a chain of pairs of rigid units connected by flexible hinges. Upon analyzing the linear band structure of the model, we identify parameter regimes in which this system may possess discrete breather solutions with frequencies inside the gap between optical and acoustic dispersion bands. We compute numerically exact solutions of this type for several different parameter regimes and investigate their properties and stability. Our findings demonstrate that upon appropriate parameter tuning within experimentally tractable ranges, the system exhibits a plethora of discrete breathers, with multiple branches of solutions that feature period-doubling and symmetry-breaking bifurcations, in addition to other mechanisms of stability change such as saddle-center and Hamiltonian Hopf bifurcations. The relevant stability analysis is corroborated by direct numerical computations examining the dynamical properties of the system and paving the way for potential further experimental exploration of this rich nonlinear dynamical lattice setting.

Lagrangian models present several advantages over Eulerian models to simulate the transport of radionuclides in the aquatic environment in emergency situations. A radionuclide release is simulated as a number of particles whose trajectories are calculated along time and thus these models do not require a spatial discretization (although it is always required in time). In this paper we investigate the dependence of a Lagrangian model output with the grid spacing which is used to calculate concentrations from the final distribution of particles, with the number of particles in the simulation and with the interpolation schemes which are required because of the discrete nature of the water circulation data used to feed the model. Also, a Lagrangian model may describe the exchanges of radionuclides between phases (liquid and solid), which is done in terms of transition probabilities. The dependence of these probabilities with time step is analyzed as well. It was found that the optimum grid size used to calculate concentrations should be carefully checked, and that temporal interpolation is more significant than spatial interpolation to obtain a more accurate solution. A method to estimate the number of particles required to have a certain accuracy level is proposed. Finally, it was found that for low sediment concentrations and small radionuclide , exact equations for the transition probabilities should be used; and that phase transitions introduce a stability condition as in Eulerian models.

The morphology and void connectivity of thin films grown by a magnetron sputtering deposition technique at oblique geometries were studied in this paper. A well-tested thin film growth model was employed to assess the features of these layers along with experimental data taken from the literature. A strong variation in the film morphology and pore topology was found as a function of the growth conditions, which have been linked to the different collisional transport of sputtered species in the plasma gas. Four different characteristic film morphologies were identified, such as (i) highly dense and compact, (ii) compact with large, tilted mesopores, (iii) nanocolumns separated by large mesopores, and (iv) vertically aligned sponge-like coalescent nanostructures. Attending to the topology and connectivity of the voids in the film, the nanocolumnar morphology was shown to present a high pore volume and area connected with the outside by means of mesopores, with a diameter above 2 nm, while the sponge-like nanostructure presented a high pore volume and area, as well as a dense network connectivity by means of micropores, with a diameter below 2 nm. The obtained results describe the different features of the porous network in these films and explain the different performances as gas or liquid sensors in electrochromic applications or for infiltration with nanoparticles or large molecules.

Anthracological analyses of charcoal samples retrieved from Pit 16 of Perdigões (Reguengos de Monsaraz, Portugal), a secondary deposition of cremated human remains dated back to the middle of the 3rd millennium BC, enabled the identification of 7 different taxa: Olea europaea, Quercus spp. (evergreen), Pinus pinaster, Fraxinus cf. angustifolia, Arbutus unedo, Cistus sp. and Fabaceae. All taxa are characteristic of both deciduous and evergreen Mediterranean vegetation, and this data might indicate that the gathering of woods employed for the human cremation/s occurred either on site, or in its vicinity. However, considering both the large distribution of the identified taxa and data about human mobility, it is not possible to conclusively determine the origin of the wood used in the cremation(s). Chemometric analysis were carried out to estimate the absolute burning temperature of woods employed for the human cremation/s. An in-lab charcoal reference collection was created by burning sound wood samples of the three main taxa identified from Pit 16, Olea europaea var. sylvestris, Quercus suber (evergreen type) and Pinus pinaster, at temperatures between 350 and 600 ˚C. The archaeological charcoal samples and the charcoal reference collection were chemically characterized by using mid-infrared (MIR) spectroscopy in the 1800–400 cm-1 range, and Partial Least Squares (PLS) regression method was used to build calibration models to predict the absolute combustion temperature of the archaeological woods. Results showed successful PLS forecasting of burn temperature for each taxon (significant (P <0.05) cross validation coefficients). The anthracological and chemometric analysis evidenced differences between the taxa coming from the two stratigraphic units

In the present work we study coherent structures in a one-dimensional discrete nonlinear Schrödinger lattice in which the coupling between waveguides is periodically modulated. Numerical experiments with single-site initial conditions show that, depending on the power, the system exhibits two fundamentally different behaviors. At low power, initial conditions with intensity concentrated in a single site give rise to transport, with the energy moving unidirectionally along the lattice, whereas high-power initial conditions yield stationary solutions. We explain these two behaviors, as well as the nature of the transition between the two regimes, by analyzing a simpler model where the couplings between waveguides are given by step functions. For the original model, we numerically construct both stationary and moving coherent structures, which are solutions reproducing themselves exactly after an integer multiple of the coupling period. For the stationary solutions, which are true periodic orbits, we use Floquet analysis to determine the parameter regime for which they are spectrally stable. Typically, the traveling solutions are characterized by having small-amplitude oscillatory tails, although we identify a set of parameters for which these tails disappear. These parameters turn out to be independent of the lattice size, and our simulations suggest that for these parameters, numerically exact traveling solutions are stable.

The development of anti-icing robust surfaces is a hot topic nowadays and particularly crucial in the aeronautics or wind energy sectors as ice accretion can compromise safety and power generation efficiency. However, the current performance of most anti-icing strategies has been proven insufficient for such demanding applications, particularly in large unprotected zones, which located downstream from thermally protected areas, may undergo secondary icing. Herein, a new testing methodology is proposed to evaluate accretion mechanisms and secondary icing phenomena through, respectively, direct impact and running-wet processes and systematically applied to anti-icing materials including commercial solutions and the latest trends in the state-of-the-art. Five categories of materials (hard, elastomeric, polymeric matrix, SLIPS and superhydrophobic) with up to fifteen formulations have been tested. This Round-Robin approach provides a deeper understanding of anti-icing mechanisms revealing the strengths and weaknesses of each material. The conclusion is that there is no single passive solution for anti-ice protection. Thus, to effectively protect a given real component, different tailored materials fitted for each particular zone of the system are required. For this selection, shape analysis of such a component and the impact characteristics of water droplets under real conditions are needed as schematically illustrated for aeronautic turbines.

Francisco de Zurbarán was one of the greatest painters of the Spanish Golden Age, with artworks scattered all over the world. Unfortunately, there are hardly any exhaustive studies on the pigments that he used. In this work, four canvas paintings attributed to the Zurbarán Workshop were studied. Each of them presents the figure of a different saint in a particular isolation scene: Saint Bruno, Saint Francis of Assisi, Saint Dominic of Guzman, and Saint Peter Martyr. Nevertheless, the painting of Saint Peter Martyr shows superior quality in both technique and colours, so it is not clear whether this canvas was also made by the Workshop or by Zurbarán himself, as some art historians claim. Coinciding with conservation and restoration works, the paintings were initially analysed with non-invasive techniques such as ultraviolet photography (UV), infrared reflectography (IRR) and X-ray fluorescence (XRF) to determine the characterization of the pigments. Those studies were complemented by stratigraphic analysis of some extracted samples with optical microscopy (OM) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM–EDX). Among a number of results obtained, we found significant differences between the pigment palette used in Saint Peter Martyr and the other paintings, supporting the hypothesis that this painting was done by Zurbarán himself instead of his workshop. These results could also help to distinguish other authentic paintings by the master’s hand from very similar paintings by his workshop or by other artists.

The photovoltaic module building integration level affects the module temperature and, consequently, its output power. In this work, a methodology has been proposed to estimate the influence of the level of architectural photovoltaic integration on the photovoltaic energy balance with natural ventilation or with forced cooling systems. The developed methodology is applied for five photovoltaic module technologies (m-Si, p-Si, a-Si, CdTe, and CIGS) on four characteristic locations (Athens, Davos, Stockholm, and Würzburg). To this end, a photovoltaic module thermal radiation parameter, PVj, is introduced in the characterization of the PV module technology, rendering the correlations suitable for building-integrated photovoltaic (BIPV) applications, with natural ventilation or with forced cooling systems. The results show that PVj has a significant influence on the energy balances, according to the architectural photovoltaic integration and climatic conditions.

Metapopulation models have been a popular tool for the study of epidemic spread over a network of highly populated nodes (cities, provinces, countries) and have been extensively used in the context of the ongoing COVID-19 pandemic. In the present work, we revisit such a model, bearing a particular case example in mind, namely that of the region of Andalusia in Spain during the period of the summer-fall of 2020 (i.e., between the first and second pandemic waves). Our aim is to consider the possibility of incorporation of mobility across the province nodes focusing on mobile-phone time dependent data, but also discussing the comparison for our case example with a gravity model, as well as with the dynamics in the absence of mobility. Our main finding is that mobility is key towards a quantitative understanding of the emergence of the second wave of the pandemic and that the most accurate way to capture it involves dynamic (rather than static) inclusion of time-dependent mobility matrices based on cell-phone data. Alternatives bearing no mobility are unable to capture the trends revealed by the data in the context of the metapopulation model considered herein.

Although titanium is widely used as biomaterial, the control of the interface properties between its surface and the surrounding physiological environment (like bone, other tissues or biofluids) results crucial to achieve a successful osseointegration and good biomechanical and functional performance. In this work, commercially pure titanium (Grade IV) discs obtained by conventional powder metallurgy were coated with 1–3 µm of Ti6Al4V (Grade V) alloy using DC-pulsed or high-power impulse magnetron sputtering (HiPIMS) technique with the aim of improving their biomedical performance. SEM, confocal microscopy, X-ray diffraction, nanoindentation and wetting measurements are used to evaluate the bio-interface role of the titanium-coated implants. Conformal Ti6Al4V coatings with controlled nano-roughness can be deposited with enhanced mechanical (H = 5–8 GPa; E = 140–160 GPa) and hydrophobic properties thanks to a dense columnar structure. The increased Ti-O bonding at the interface helps to prevent the corrosion due to the formation of a surface passivation layer. Particularly in the case of the HiPIMS process, the surface modification of titanium implants (chemistry, morphology and structure) appears as an effective strategy for satisfying the biomedical requirements and functionality, with enhanced mechanical properties and nanostructuration for prevention of bacteria colonization.

The discrete complex Ginzburg–Landau equation is a fundamental model for the dynamics of nonlinear lattices incorporating competitive dissipation and energy gain effects. Such mechanisms are of particular importance for the study of survival/destruction of localised structures in many physical situations. In this work, we prove that in the discrete complex Ginzburg–Landau equation dissipative solitonic waveforms persist for significant times by introducing a dynamical transitivity argument. This argument is based on a combination of the notions of “inviscid limits” and of the “continuous dependence of solutions on their initial data”, between the dissipative system and its Hamiltonian counterparts. Thereby, it establishes closeness of the solutions of the Ginzburg–Landau lattice to those of the conservative ideals described by the Discrete Nonlinear Schrödinger and Ablowitz–Ladik lattices. Such a closeness holds when the initial conditions of the systems are chosen to be sufficiently small in the suitable metrics and for small values of the dissipation or gain strengths. Our numerical findings are in excellent agreement with the analytical predictions for the dynamics of the dissipative bright, dark or even Peregrine-type solitonic waveforms.

A systematic analysis of the weak responses for charged-current quasielastic neutrino-nucleus reactions is presented within the scheme of a fully relativistic microscopic model considering momentum-dependent scalar and vector mean field potentials in both the initial and final nucleon states. The responses obtained are compared with the ones corresponding to simpler approaches: energy-independent potentials and the relativistic plane wave limit in the final state, i.e., no potentials applied to the outgoing particle. The analysis is also extended to the scaling phenomenon, which provides additional information regarding nuclear dynamics. Results for the scaling function are shown for various nuclei and different values of the transferred momentum in order to analyze the behavior of the relativistic scalar and vector mean field potentials.

In the present work we explore the concept of solitary wave billiards. That is, instead of a point particle, we examine a solitary wave in an enclosed region and examine its collision with the boundaries and the resulting trajectories in cases which for particle billiards are known to be integrable and for cases that are known to be chaotic. A principal conclusion is that solitary wave billiards are generically found to be chaotic even in cases where the classical particle billiards are integrable. However, the degree of resulting chaoticity depends on the particle speed and on the properties of the potential. Furthermore, the nature of the scattering of the deformable solitary wave particle is elucidated on the basis of a negative Goos-Hänchen effect which, in addition to a trajectory shift, also results in an effective shrinkage of the billiard domain.

This research addresses the geomorphological connectivity existing amid the piedmont’s karstic fillings (Sierra de Esparteros) and the Guadaíra and Guadalquivir Rivers’ alluvial terraces (SW of Spain), spotted with vestiges of human activities (Middle Palaeolithic). This study includes the analysis of 20 geoarchaeological sites and 28 lithic assemblages, with a total of 13,233 lithic pieces. Techno-typological and use–wear (SEM) analyses were conducted on these artifacts. Depending on the raw materials and the provenance of these lithic industries, two groups of assemblages were identified: one made of quartzite from the north, and another made of flint from the south. Two main geochronological periods were established (OSL and U/Th): (1) a short duration (MIS6/MIS5) and (2) a long duration (MIS5/MIS3). Techno-typological analysis showed three sorts of activities: (a) the provision and distribution of raw materials, (b) knapping, and (c) other activities that imply the use of a lithic workshop (LW), along with the settlement characteristics of habitual or recurrent (HS), temporary (TS), and indeterminate (IN). This geoarchaeological connectivity is called the “hominid alluvial corridor” (HAC). The underlined features are the geomorphological units, the continuum alluvial series, the raw material of the lithic industries as an indicator of provenance and transportation throughout the alluvial system, and the use–wear analysis of the tool-kit to interpret the functionality of the pieces.

A Lagrangian model which simulates the transport of radionuclides released from nuclear accidents in the western Mediterranean Sea was recently described. This model was developed in spherical coordinates and includes three-dimensional mixing due to turbulence, advection by currents, radioactive decay, and radionuclide exchanges between water and bed sediments. Water circulation was downloaded from the HYCOM global ocean model. Water–sediment interactions were described using a dynamic model based on kinetic transfer coefficients. Mixing, decay, and water–sediment interactions were solved using a stochastic method. Now, a dynamic biological uptake model consisting of four species (phytoplankton, zooplankton, non-piscivorous fish, and piscivorous fish) has been integrated within the transport model to be able to assess the effects of a potential accident in biota and fishery regions. The model has been set up for ¹³⁷Cs and ⁹⁰Sr due to the radiological relevance of these radionuclides. Several hypothetical accidents were simulated, resulting in ¹³⁷Cs concentrations in biota significantly higher than background levels. In contrast, ⁹⁰Sr accumulates in the food chain to a considerably weaker extent.

A Lagrangian transport model for the North Atlantic has been applied to simulate the historical releases of 137Cs, 129I and 236U from the European nuclear fuel reprocessing plants. Advection by currents, mixing and decay are included, as radionuclide interactions between water, sediments and suspended matter. The model was validated comparing predictions with measured radionuclide concentrations in water and sediments in several areas. 129I and 236U signals entering the Arctic Ocean have been compared with the input terms: the 236U signal is distorted, but the 129I signal preserves its shape. In the first moments after the releases, the sediments act as sinks for 236U, but not significantly for 129I and ultimately they become sources of 236U to the open sea. This results in a weaker correlation between input and output signals for 236U than for 129I. The same effects as for 236U have been found for 137Cs signal into the Arctic.