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The double detonation model is one of the prevalent explosion mechanisms of Type Ia Supernovae (SNe Ia) wherein an outer helium shell detonation triggers a core detonation in the white dwarf (WD). The dynamically driven double degenerate double detonation (D6) is the double detonation of the more massive WD in a binary WD system where the localized impact of the mass transfer stream from the companion sets off the initial helium shell detonation. To have high numerical resolution and control over the stream parameters, we have implemented a study of the local interaction of the stream with the WD surface in 2D. In cases with lower base density of the shell, the stream's impact can cause surface detonation soon after first impact. With higher base densities, after the stream hits the surface, hot material flows around the star and interacts with the incoming stream to produce a denser and narrower impact. Our results therefore show that (1) a directly impacting stream for both a relatively high resolution and for a range of stream parameters can produce a surface detonation, (2) thinner helium shells ignite more promptly via impact, doing so sooner, and (3) there are lower limits on ignition in both shell density and incoming stream speed with lower limits on density being well below those shown by other work to be required for normal appearing SN Ia. This supports stream ignition and therefore the D6 scenario, as a viable mechanism for normal SNe Ia., Comment: 15 pages, 8 figures, 3 tables, submitted to Apj

Double detonations of sub-Chandrasekhar-mass white dwarfs (WDs) in unstably mass-transferring double WD binaries have become a leading contender to explain most, if not all, Type Ia supernovae. However, past theoretical studies of the explosion process have assumed relatively ad hoc initial conditions for the helium shells in which the double detonations begin. In this work, we construct realistic C/O WDs to use as the starting points for multidimensional double detonation simulations. We supplement these with simplified one-dimensional detonation calculations to gain a physical understanding of the conditions under which shell detonations can propagate successfully. We find that C/O WDs <= 1.0 Msol, which make up the majority of C/O WDs, are born with structures that can support double detonations. More massive C/O WDs require ~1e-3 Msol of accretion before detonations can successfully propagate in their shells, but such accretion may be common in the double WD binaries that host massive WDs. Our findings strongly suggest that if the direct impact accretion stream reaches high enough temperatures and densities during mass transfer from one WD to another, the accreting WD will undergo a double detonation. Furthermore, if the companion is also a C/O WD <= 1.0 Msol, it will undergo its own double detonation when impacted by the ejecta from the first explosion. Exceptions to this outcome may explain the newly discovered class of hypervelocity supernova survivors., Comment: Submitted

Magnetic van der Waals (vdW) materials have opened new frontiers for realizing novel many-body phenomena. Recently NiPS3 has received intense interest since it hosts an excitonic quasiparticle whose properties appear to be intimately linked to the magnetic state of the lattice. Despite extensive studies, the electronic character, mobility, and magnetic interactions of the exciton remain unresolved. Here we address these issues by measuring NiPS3 with ultra-high energy resolution resonant inelastic x-ray scattering (RIXS). We find that Hund's exchange interactions are primarily responsible for the energy of formation of the exciton. Measuring the dispersion of the Hund's exciton reveals that it propagates in a way that is analogous to a double-magnon. We trace this unique behavior to fundamental similarities between the NiPS3 exciton hopping and spin exchange processes, underlining the unique magnetic characteristics of this novel quasiparticle., Comment: 11 pages accepted in Nature Communications

Multi-phase vapor-deposited glasses are an important class of materials for organic electronics, particularly organic photovoltaics and thermoelectrics. These blends are frequently regarded as molecular alloys and there have been few studies of their structure at nanometer scales. Here we show that a co-deposited system of TPD and Disperse Orange 37, two small molecule glass-formers, separates into compositionally distinct phases with a domain size and spacing that depends on substrate temperature during deposition. Domains rich in one of the two components become larger and more pure at higher deposition temperatures. We use resonant soft X-ray scattering (RSoXS) complemented with Atomic Force Microscopy (AFM) and photo-induced force microscopy (PiFM) to measure the phase separation, topography, and purity of the deposited films. A forward-simulation approach to RSoXS analysis, the National Institute of Standards and Technology (NIST) RSoXS Simulation Suite (NRSS), is used with models developed from AFM images to evaluate the energy dependence of scattering across multiple length scales and interpret the RSoXS with respect to structure within the films. We find that the RSoXS is sensitive to a hidden length scale of phase separation that is not apparent from the AFM characterization alone. We demonstrate that vacuum scattering, which is often ignored in RSoXS analysis, contributes significantly to the features and energy dependence of the RSoXS pattern, and then illustrate how to properly account for vacuum scattering to analyze films with significant roughness. We then use this analysis framework to understand structure development mechanisms that occur during vapor deposition of a TPD-DO37 co-deposited glass with results that outline paths to tune morphology in multi-component materials.

The precise origin of Type Ia supernovae (SNe Ia) is unknown despite their value to numerous areas in astronomy. While it is a long-standing consensus that they arise from an explosion of a carbon/oxygen white dwarf, the exact progenitor configurations and explosion mechanisms that lead to SNe Ia are still debated. One popular theory is the double detonation in which a helium layer, accreted from a binary companion, detonates on the surface of the primary star, leading to a converging shock-induced detonation of the underlying core. It has recently been seen in simulations that a helium-rich degenerate companion may undergo its own explosion triggered by the impact from the ejecta of the primary star. We show 2D simulations that approximate a white dwarf undergoing a double detonation which triggers the explosion of the degenerate companion, leading to either a triple or quadruple detonation. We also present the first multi-dimensional radiative transfer results from the triple and quadruple detonation scenario. We find that within a range of mass configurations of the degenerate binary, the synthetic light curves and spectra of these events match observations as well as theoretical models of isolated double detonations do. Notably, double and quadruple detonations that are spectrally similar and reach the same peak brightnesses have drastically different ejection masses and produce different amounts of Si- and Fe-group elements. Further understanding of this scenario is needed in order to determine if at least some observed SNe Ia actually originate from two stars exploding., Comment: 22 pages, 21 figures, 3 tables. Accepted for publication in ApJ

A proposed setting for thermonuclear (Type Ia) supernovae is a white dwarf that has gained mass from a companion to the point of carbon ignition in the core. There is a simmering phase in the early stages of burning that involves the formation and growth of a core convection zone. One aspect of this phase is the convective Urca process, a linking of weak nuclear reactions to convection that may alter the composition and structure of the white dwarf. Convective Urca is not well understood and requires 3D fluid simulations to realistically model. Additionally, the convection is relatively slow (Mach number less than 0.005) so a low-Mach method is needed to make simulating computationally feasible. Using the MAESTROeX low-Mach hydrodynamics code, we investigate recent changes to how the weak reactions are modeled in the convective Urca simulations. We present results that quantify the changes to the reaction rates and their impact on the evolution of the simulation., Comment: 9 pages, 7 figures, submitted to the Proceedings of 15th International Conference on Numerical Modeling of Space Plasma Flows (AstroNum)

Numerical models allow the investigation of phenomena that cannot exist in a laboratory. Computational simulations are therefore essential for advancing our knowledge of astrophysics, however, the very nature of simulation requires making assumptions that can substantially affect their outcome. Here, we present the challenges faced when simulating dim thermonuclear explosions, Type Iax supernovae. This class of dim events produce a slow moving, sparse ejecta that presents challenges for simulation. We investigate the limitations of the equation of state and its applicability to the expanding, cooling ejecta. We also discuss how the "fluff", i.e. the low-density gas on the grid in lieu of vacuum, inhibits the ejecta as it expands. We explore how the final state of the simulation changes as we vary the character of the burning, which influences the outcome of the explosion. These challenges are applicable to a wide range of astrophysical simulations, and are important to discuss and overcome as a community., Comment: 10 pages, 7 figures, submitted to the Proceedings of 15th International Conference on Numerical Modeling of Space Plasma Flows (AstroNum)

We investigated the high energy spin excitations in electron-doped $\mathrm{La}_{2-x} \mathrm{Ce}_x \mathrm{CuO}_{4}$, a cuprate superconductor, by resonant inelastic x-ray scattering (RIXS) measurements. Efforts were paid to disentangle the paramagnon signal from non-spin-flip spectral weight mixing in the RIXS spectrum at $\bf{Q_{\|}}$ = $(0.6\pi, 0)$ and $(0.9\pi, 0)$ along the (1 0) direction. Our results show that, for doping level x from 0.07 to 0.185, the variation of the paramagnon excitation energy is marginal. We discuss the implication of our results in connection with the evolution of the electron correlation strength in this system., Comment: in press on Phys. Rev. Lett

The dimmest and most numerous outlier of the Type Ia supernova population, Type Iax events, is increasingly being found in the results of observational campaigns. There is currently no single accepted model to describe these events. This 2D study explores the viability of modeling Type Iax events as a hybrid C/O/Ne white dwarf progenitor undergoing a deflagration using the multi-physics software FLASH. This hybrid was created using the stellar evolution code MESA, and its C-depleted core and mixed structure have demonstrated lower yields than traditional C/O progenitors in previous deflagration-to-detonation studies. To generate a sample, 30 "realizations" of this simulation were performed, the only difference being the shape of the initial matchhead used to start the deflagration. As consistent with earlier work, these realizations produce the familiar hot dense bound remnant surrounded by sparse ejecta. Our results indicate the majority of the star remains unburned (~70%) and bound (>90%). Our realizations produce total ejecta yields on the order of 10$^{-2}$ - 10$^{-1}$ solar masses, ejected $^{56}$Ni yields on the order of 10$^{-4}$ - 10$^{-2}$ solar masses, and ejecta kinetic energies on the order of 10$^{48}$ - 10$^{49}$ ergs. Compared to yields inferred from recent observations of the dimmest Type Iax events - SN 2007qd, SN 2008ha, SN 2010ae, SN 2019gsc, SN 2019muj, SN 2020kyg, and SN 2021fcg - our simulation produces comparable $^{56}$Ni yields, but too-small total yields and kinetic energies. Reignition of the remnant is also seen in some realizations., Comment: 43 pages, 15 figures, 4 tables. To be published in ApJ

We present observations of SN 2022joj, a peculiar Type Ia supernova (SN Ia) discovered by the Zwicky Transient Facility (ZTF). SN 2022joj exhibits an unusually red $g_\mathrm{ZTF}-r_\mathrm{ZTF}$ color at early times and a rapid blueward evolution afterwards. Around maximum brightness, SN 2022joj shows a high luminosity ($M_{g_\mathrm{ZTF},\mathrm{max}}\simeq-19.7$ mag), a blue broadband color ($g_\mathrm{ZTF}-r_\mathrm{ZTF}\simeq-0.2$ mag), and shallow Si II absorption lines, consistent with those of overluminous, SN 1991T-like events. The maximum-light spectrum also shows prominent absorption around 4200 \r{A}, which resembles the Ti II features in subluminous, SN 1991bg-like events. Despite the blue optical-band colors, SN 2022joj exhibits extremely red ultraviolet $-$ optical colors at maximum luminosity ($u-v\simeq1.6$ mag and $uvw1 - v\simeq4.0$ mag), suggesting a suppression of flux between $\sim$2500--4000 \r{A}. Strong C II lines are also detected at peak. We show that these unusual spectroscopic properties are broadly consistent with the helium-shell double detonation of a sub-Chandrasekhar mass ($M\simeq1\mathrm{M_\odot}$) carbon/oxygen (C/O) white dwarf (WD) from a relatively massive helium shell ($M_s\simeq0.04$--$0.1\mathrm{M_\odot}$), if observed along a line of sight roughly opposite to where the shell initially detonates. None of the existing models could quantitatively explain all the peculiarities observed in SN 2022joj. The low flux ratio of [Ni II] $\lambda$7378 to [Fe II] $\lambda$7155 emission in the late-time nebular spectra indicates a low yield of stable Ni isotopes, favoring a sub-Chandrasekhar mass progenitor. The significant blueshift measured in the [Fe II] $\lambda$7155 line is also consistent with an asymmetric chemical distribution in the ejecta, as is predicted in double-detonation models., Comment: 24 pages, 11 figures, 6 tables. Submitted to ApJ

The van der Waals layered magnet $\alpha$-RuCl$_3$ offers tantalizing prospects for the realization of Majorana quasiparticles. Efforts to understand this are, however, hampered by inconsistent magnetic and thermal transport properties likely coming from the formation of structural disorder during crystal growth, postgrowth processing, or upon cooling through the first order structural transition. Here, we investigate structural disorder in $\alpha$-RuCl$_3$ using x-ray diffuse scattering and three-dimensional difference pair distribution function (3D-$\Delta$PDF) analysis. We develop a quantitative model that describes disorder in $\alpha$-RuCl$_3$ in terms of rotational twinning and intermixing of the high and low-temperature structural layer stacking. This disorder may be important to consider when investigating the detailed magnetic and electronic properties of this widely studied material., Comment: 6 pages; 3 figures; accepted in Physical Review B

Type Ia supernova explosions (SNIa) are fundamental sources of elements for the chemical evolution of galaxies. They efficiently produce intermediate-mass (with Z between 11 and 20) and iron group elements - for example, about 70% of the solar iron is expected to be made by SNIa. In this work, we calculate complete abundance yields for 39 models of SNIa explosions, based on three progenitors - a 1.4M deflagration detonation model, a 1.0 double detonation model and a 0.8 M double detonation model - and 13 metallicities, with 22Ne mass fractions of 0, 1x10-7, 1x10-6, 1x10-5, 1x10-4, 1x10-3, 2x10-3, 5x10-3, 1x10-2, 1.4x10-2, 5x10-2, and 0.1 respectively. Nucleosynthesis calculations are done using the NuGrid suite of codes, using a consistent nuclear reaction network between the models. Complete tables with yields and production factors are provided online at Zenodo: Yields. We discuss the main properties of our yields in the light of the present understanding of SNIa nucleosynthesis, depending on different progenitor mass and composition. Finally, we compare our results with a number of relevant models from the literature., Comment: 42 pages, 21 figures. Accepted for publication in ApJS 21-06-23

Accreting white dwarfs in Cataclysmic variables (CVs) show short-period (tens of minutes) brightness variations that are consistent with non-radial oscillations similar to gravity (g) modes observed in isolated white dwarfs (WDs). GW Librae, a dwarf nova, was the first CV in which non-radial oscillations were observed and continues to be the best studied accreting WD displaying these pulsations. Unlike isolated WDs, accreting WDs rotate rapidly, with spin periods comparable to or shorter than typical low-order oscillation periods. Accreting WDs also have a different relationship between their interior temperature and surface temperature. The surface temperature of an accreting WD varies on a months to year timescale between dwarf novae accretion events, allowing study of how this temperature change effects g-mode behavior. Here we show results from adiabatic seismological calculations for accreting WDs, focusing on low-order ($\ell=1$) modes. We demonstrate how g-modes vary in response to temperature changes in the subsurface layers due to a dwarf nova accretion event. These calculations include rotation non-perturbatively, required by the high spin rate. We discuss the thermal history of these accreting WDs, and compare the seismological properties with and without rotation. Comparison of $g$-mode frequencies to observed objects may allow inference of features of the structure of the WD such as mass, surface abundance, accretion history, and more. The variation of mode frequencies during cooling after an outburst provides a novel method of identifying modes., Comment: 18 pages, 13 figures, Accepted to ApJ

Ruddlesden-Popper and reduced Ruddlesden-Popper nickelates are intriguing candidates for mimicking the properties of high-temperature superconducting cuprates. The degree of similarity between these nickelates and cuprates has been the subject of considerable debate. Resonant inelastic x-ray scattering (RIXS) has played an important role in exploring their electronic and magnetic excitations, but these efforts have been stymied by inconsistencies between different samples and the lack of publicly available data for detailed comparison. To address this issue, we present open RIXS data on La4Ni3O10 and La4Ni3O8., Comment: Data descriptor article; accepted in Scientific Data; 8 pages; 6 figures

This paper presents a simple formalism for calculating X-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) that has as input orbital-resolved density of states from a single-particle or many-body \textit{ab initio} calculation and is designed to capture itinerant-like features. We use this formalism to calculate both the XAS and RIXS with input from DFT and DFT+DMFT for the recently studied reduced valence nickelates $R_4$Ni$_3$O$_8$ and $R$NiO$_2$ ($R$ a rare earth), and these results are then contrasted with those for the cuprate CaCuO$_2$ and the unreduced nickelate $R_4$Ni$_3$O$_{10}$. In contrast to the unreduced $R_4$Ni$_3$O$_{10}$, the reduced valence nickelates as well as the cuprate show strong orbital polarization due to the dominance of $x^2-y^2$ orbitals for the unoccupied $3d$ states. We also reproduce two key aspects of a recent RIXS experiment for $R_4$Ni$_3$O$_8$: (i) a charge transfer feature between $3d$ and oxygen $2p$ states whose energy we find to decrease as one goes from $R$NiO$_2$ to $R_4$Ni$_3$O$_8$ to the cuprate, and (ii) an energy-dependent polarization reversal of the fluorescence line that arises from hybridization of the unoccupied $z^2$ states with $R$ 5d states. We end with some implications of our results for the nature of the $3d$ electrons in reduced valence nickelates.

Charge order is a central feature of the physics of cuprate superconductors and is known to arise from a modulation of holes with primarily oxygen character. Low-valence nickelate superconductors also host charge order, but the electronic character of this symmetry breaking is unsettled. Here, using resonant inelastic x-ray scattering at the Ni $L_2$-edge, we identify intertwined involvements of Ni $3d_{x^2-y^2}$, $3d_{3z^2-r^2}$, and O $2p_{\sigma}$ orbitals in the formation of diagonal charge order in an overdoped low-valence nickelate La$_{4}$Ni$_{3}$O$_{8}$. The Ni $3d_{x^2-y^2}$ orbitals, strongly hybridized with planar O $2p_{\sigma}$, largely shape the spatial charge distribution and lead to Ni site-centered charge order. The $3d_{3z^2-r^2}$ orbitals play a small, but non-negligible role in the charge order as they hybridize with the rare-earth $5d$ orbitals. Our results reveal that the low-energy physics and ground-state character of these nickelates are more complex than those in cuprates., Comment: Accepted in Physical Review X; 7 pages plus references and supplementary materials

Although charge-density wave (CDW) correlations exist in several families of cuprate supercon-ductors, they exhibit substantial variation in CDW wavevector and correlation length, indicating a key role for CDW-lattice interactions. We investigated this interaction in La$_{1.875}$Ba$_{0.125}$CuO$_4$ using single crystal x-ray diffraction to collect a large number of CDW peak intensities, and determined the Cu and La/Ba atomic distortions induced by the formation of CDW order. Within the CuO$_2$ planes, the distortions involve a periodic modulation of the Cu-Cu spacing along the direction of the ordering wave vector. The charge ordering within the copper-oxygen layer induces an out-of-plane breathing modulation of the surrounding lanthanum layers, which leads to a related distortion on the adjacent copper-oxygen layer. Our result implies that the CDW-related structural distortions do not remain confined to a single layer but rather propagate an appreciable distance through the crystal. This leads to overlapping structural modulations, in which CuO$_2$ planes exhibit distortions arising from the orthogonal CDWs in adjacent layers as well as distortions from the CDW within the layer itself. We attribute this striking effect to the weak c-axis charge screening in cuprates and suggest this effect could help couple the CDW between adjacent planes in the crystal., Comment: 9 pages; Accepted in Phys. Rev. B

Polarized Resonant Soft X-ray scattering (P-RSoXS) has emerged as a powerful synchrotron-based tool that combines principles of X-ray scattering and X-ray spectroscopy. P-RSoXS provides unique sensitivity to molecular orientation and chemical heterogeneity in soft materials such as polymers and biomaterials. Quantitative extraction of orientation information from P-RSoXS pattern data is challenging because the scattering processes originate from sample properties that must be represented as energy-dependent three-dimensional tensors with heterogeneities at nanometer to sub-nanometer length scales. We overcome this challenge by developing an open-source virtual instrument that uses GPUs to simulate P-RSoXS patterns from real-space material representations with nanoscale resolution. Our computational framework CyRSoXS (https://github.com/usnistgov/cyrsoxs) is designed to maximize GPU performance. We demonstrate the accuracy and robustness of our approach by validating against an extensive set of test cases, which include both analytical solutions and numerical comparisons, demonstrating a speedup of over three orders relative to the current state-of-the-art simulation software. Such fast simulations open up a variety of applications that were previously computationally infeasible, including (a) pattern fitting, (b) co-simulation with the physical instrument for operando analytics, data exploration, and decision support, (c) data creation and integration into machine learning workflows, and (d) utilization in multi-modal data assimilation approaches. Finally, we abstract away the complexity of the computational framework from the end-user by exposing CyRSoXS to Python using Pybind. This eliminates I/O requirements for large-scale parameter exploration and inverse design, and democratizes usage by enabling seamless integration with a Python ecosystem (https://github.com/usnistgov/nrss)., Comment: 41 pages, 19 figures

Flash-X is a highly composable multiphysics software system that can be used to simulate physical phenomena in several scientific domains. It derives some of its solvers from FLASH, which was first released in 2000. Flash-X has a new framework that relies on abstractions and asynchronous communications for performance portability across a range of increasingly heterogeneous hardware platforms. Flash-X is meant primarily for solving Eulerian formulations of applications with compressible and/or incompressible reactive flows. It also has a built-in, versatile Lagrangian framework that can be used in many different ways, including implementing tracers, particle-in-cell simulations, and immersed boundary methods., Comment: 16 pages, 5 Figures, published open access in SoftwareX

We investigate an experimental toy-model system of a pseudospin-half square-lattice Hubbard Hamiltonian in [(SrIrO3)1/(CaTiO3)1] to include both nontrivial complex hopping and moderate electronic correlation. While the former induces electronic Berry phases as anticipated from the weak-coupling limit, the later stabilizes an antiferromagnetic (AFM) Mott insulator ground state in analogous to the strong-coupling limit. Their combined results in the real system are found to be an anomalous Hall effect with a non-monotonic temperature dependence due to the self-competition of the electron-hole pairing in the Mott state, and an exceptionally large Ising anisotropy that is captured as a giant magnon gap beyond the superexchange approach. The unusual phenomena highlight the rich interplay of electronic topology and electronic correlation in the intermediate-coupling regime that is largely unexplored and challenging in theoretical modelling., Comment: Accepted by Phys. Rev. X

Bulk charge density waves are now reported in nearly all high-temperature superconducting cuprates, with the noticeable exception of one particular family: the copper oxychlorides. Here, we used resonant inelastic X-ray scattering to reveal a bulk charge density waves in these materials. Combining resonant inelastic X-ray scattering with non-resonant inelastic X-ray scattering, we investigate the interplay between the lattice excitations and the charge density wave, and evidence the phonon anomalies of the Cu-O bond-stretching mode at the charge density wave wave-vector. We propose that such electron-phonon anomalies occur in the presence of dispersive charge excitations emanating from the charge density wave and interacting with the Cu-O bond-stretching phonon. Our results pave the way for future studies, combining both bulk and surface probes, to investigate the static and dynamical properties of the charge density wave in the copper oxychloride family.

Excitonic insulators are usually considered to form via the condensation of a soft charge mode of bound electron-hole pairs. This, however, presumes that the soft exciton is of spin-singlet character. Early theoretical considerations have also predicted a very distinct scenario, in which the condensation of magnetic excitons results in an antiferromagnetic excitonic insulator state. Here we report resonant inelastic x-ray scattering (RIXS) measurements of Sr3Ir2O7. By isolating the longitudinal component of the spectra, we identify a magnetic mode that is well-defined at the magnetic and structural Brillouin zone centers, but which merges with the electronic continuum in between these high-symmetry points and which decays upon heating concurrent with a decrease in the material's resistivity. We show that a bilayer Hubbard model, in which electron-hole pairs are bound by exchange interactions, consistently explains all the electronic and magnetic properties of Sr3Ir2O7 indicating that this material is a realization of the long-predicted antiferromagnetic excitonic insulators phase., Comment: accepted in Nature Communications; 6 pages main materials

Spinons are well-known as the elementary excitations of one-dimensional antiferromagnetic chains, but means to realize spinons in higher dimensions is the subject of intense research. Here, we use resonant x-ray scattering to study the layered trimer iridate Ba4Ir3O10, which shows no magnetic order down to 0.2 K. An emergent one-dimensional spinon continuum is observed that can be well-described by XXZ spin-1/2 chains with magnetic exchange of ~55 meV and a small Ising-like anisotropy. With 2% isovalent Sr doping, magnetic order appears below TN=130 K along with sharper excitations, indicating that the spinons become more confined in (Ba1-xSrx)4Ir3O10. We propose that the frustrated intra-trimer interactions effectively reduce the system into decoupled spin chains, the subtle balance of which can be easily tipped by perturbations such as chemical doping. Our results put Ba4Ir3O10 between the one-dimensional chain and two-dimensional quantum spin liquid scenarios, illustrating a new way to suppress magnetic order and realize fractional spinons., Comment: Accepted in Physical Review Letters; 5 pages not including references or supplementary

In this paper, we propose PATO-a producibility-aware topology optimization (TO) framework to help efficiently explore the design space of components fabricated using metal additive manufacturing (AM), while ensuring manufacturability with respect to cracking. Specifically, parts fabricated through Laser Powder Bed Fusion are prone to defects such as warpage or cracking due to high residual stress values generated from the steep thermal gradients produced during the build process. Maturing the design for such parts and planning their fabrication can span months to years, often involving multiple handoffs between design and manufacturing engineers. PATO is based on the a priori discovery of crack-free designs, so that the optimized part can be built defect-free at the outset. To ensure that the design is crack free during optimization, producibility is explicitly encoded within the standard formulation of TO, using a crack index. Multiple crack indices are explored and using experimental validation, maximum shear strain index (MSSI) is shown to be an accurate crack index. Simulating the build process is a coupled, multi-physics computation and incorporating it in the TO loop can be computationally prohibitive. We leverage the current advances in deep convolutional neural networks and present a high-fidelity surrogate model based on an Attention-based U-Net architecture to predict the MSSI values as a spatially varying field over the part's domain. Further, we employ automatic differentiation to directly compute the gradient of maximum MSSI with respect to the input design variables and augment it with the performance-based sensitivity field to optimize the design while considering the trade-off between weight, manufacturability, and functionality. We demonstrate the effectiveness of the proposed method through benchmark studies in 3D as well as experimental validation.

Low-valence nickelates $-$ including infinite-layer (IL) and trilayer (TL) compounds $-$ are longstanding candidates for mimicking the high-temperature superconductivity of cuprates. A recent breakthrough in the field came with the discovery of superconductivity in hole-doped IL nickelates. Yet, the degree of similarity between low-valence nickelates and cuprates is the subject of a profound debate for which soft x-ray spectroscopy experiments at the Ni $L$- and O $K$-edge provided critical input. In this review, we will discuss the essential elements of the electronic structure of low-valance nickelates revealed by x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS). Furthermore, we will review magnetic excitations observed in the RIXS spectra of IL and TL nickelates, which exhibit characteristics that are partly reminiscent of those of cuprates., Comment: 11 pages, 2 figures, submitted to the Condensed Matter Physics section in Frontiers in Physics for the research topic "Advances in Superconducting Infinite-Layer and Related Nickelates"