Search NASA⌕ Search

SEARCH · Search NASA

Results for “binary”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

XRISM spectroscopy on orbital modulation of Fe Ly α lines in Cygnus X-3

To understand physical processes such as mass transfer and binary evolution in X-ray binaries, the orbital parameters of the system are fundamental and crucial information. Cygnus X-3 is a high-mass X-ray binary composed of a compact object of unknown nature and a Wolf–Rayet star, which is of great interest in the context of wind-fed mass accretion and binary evolution. Here we present XRISM/Resolve high-resolution spectroscopy, focusing on the Fe Ly$\alpha$ lines when the source was in its hypersoft state. We perform an orbital phase-resolved spectral analysis of the lines to study the orbital modulation of the emission and absorption lines. It is found that the emission lines reflect the orbital motion of the compact object whose estimated velocity amplitude is $430^{+150}_{-140}$ km s$^{-1}$, while the absorption lines show a variation that can be interpreted as originating from the stellar wind. We discuss possible mass ranges for the binary components using the mass function with the estimated value of the velocity amplitude in this work, combined with the relation between the mass-loss rate and the orbital period derivative and the empirical mass and mass-loss rate relation for Galactic Wolf–Rayet stars. They are constrained to be (1.3–5.1) and (9.3–12) M$_\odot$, respectively, for the assumed inclination angle of $i =25^\circ$, and become more relaxed, (1.3–24) and (9.3–16) M$_\odot$, for $i = 35^\circ$. Thus, it remains unclear whether the system harbors a black hole or a neutron star.

X-rays: binaries↗
DOE OSTI2026

Urban Parameters Arizona Urban Corridor 100m

132 Urban parameters based on building physical dimensions and location were generated for the cities in six Arizona Counties at 100m resolution using the NATURF model. To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed.

Dumas, Melissa [ORNL] (ORCID:0000000233190846)↗
DOE OSTI2026

Urban Parameters Washington, DC 100m

132 Urban parameters based on building physical dimensions and location were generated for Washington, District of Columbia at 100m resolution using the NATURF model. To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed.

Dumas, Melissa [ORNL] (ORCID:0000000233190846)↗
DOE OSTI2026

Urban Parameters Los Angeles County 100m version 2

132 Urban parameters based on building physical dimensions and location were generated for the city of Los Angeles at 100m resolution using the NATURF model. To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed. The kmz file can be visualized on Google Earth.

Sweet-Breu, Levi [Baylor University]↗
DOE OSTI2024

Hypereutectic Al-Ce-X (X=Mn, Cr, V, Mo, W) alloys fabricated by laser powder-bed fusion

Here, we characterize the microstructures and high-temperature mechanical properties of Al-2Ce and ternary Al-2Ce-1X (at.%) alloys fabricated by laser powder-bed fusion (LPBF), where X = Mn, Cr, V, Mo, and W are slow-diffusing transition metals. All ternary alloys show a hypereutectic microstructure in the as-LPBF state, containing an interconnected network of eutectic Al 11 Ce 3 phases (~10 vol.%) and an additional population of submicron, equiaxed Al 20 CeX 2 primary precipitates (~10 vol.%) which are isomorphous among these five alloys. Similar microstructures are present in arc-melted rods and atomized powders but are coarser due to the slower cooling rates in these processes. The hardness of the as-LPBF ternary Al-Ce-X alloys (1300–1400 MPa) is higher than that of the binary Al-Ce alloy (~1100 MPa) due to the higher volume fraction of strengthening phases. Furthermore, during exposure at 400 °C for up to three months, greater hardness retention is achieved in the ternary Al-Ce-X alloys (65–75%) than in the binary Al-Ce alloy (~55%), which is attributed to the extreme coarsening resistance of the Al 20 CeX 2 precipitates imparted by the very slow-diffusing ternary solute. These coarsening-resistant Al 20 CeX 2 precipitates also substantially improve alloy creep resistance, increasing the threshold stress for dislocation creep at 300°C from ~32 MPa for the binary Al-Ce alloy to ~77–100 MPa for the ternary Al-Ce-X alloys, and at 400°C from <10 MPa for the binary Al-Ce alloy to >40 MPa for the ternary Al-Ce-V alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of grafting density on the two-dimensional assembly of nanoparticles

Employing grazing-incidence small-angle X-ray scattering (GISAXS) and X-ray reflectivity (XRR), we demonstrate that films composed of polyethylene glycol (PEG)-grafted silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs), as well as their binary mixtures, form highly stable hexagonal structures at the vapor–liquid interface. These nanoparticles exhibit remarkable stability under varying environmental conditions, including changes in pH, mixing concentration, and PEG chain length. Short-chain PEG grafting produces dense, well-ordered films, while longer chains produce more complex, less dense quasi-bilayer structures. AuNPs exhibit higher grafting densities than AgNPs, leading to more ordered in-plane arrangements. In binary mixtures, AuNPs dominate the population at the surface, while AgNPs integrate into the system, expanding the lattice without forming a distinct binary superstructure. In conclusion, these results offer valuable insights into the structural behavior of PEG-grafted nanoparticles and provide a foundation for optimizing binary nanoparticle assemblies for advanced nanotechnology applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stellar population and metal production in AGN discs

ABSTRACT As gravitational wave detections increase the number of observed compact binaries (consisting of neutron stars or blacks), we begin to probe the different conditions producing these binaries. Most studies of compact remnant formation focus either on stellar collapse from the evolution of field binary stars in gas-free environments or on the formation of stars in clusters where dynamical interactions capture the compact objects, forming binaries. But a third scenario exists. In this paper, we study the fate of massive stars formed, accrete gas, and evolve in the dense discs surrounding supermassive black holes. We calculate the explosions produced and compact objects formed by the collapse of these massive stars. Nucleosynthetic yields may provide an ideal, directly observable, diagnostic of the formation and fate of these stars in active galactic nuclei. We present a first study of the explosive yields from these stars, comparing these yields with the observed nucleosynthetic signatures in the discs around supermassive stars with quasars. We show that, even though these stars tend to form black holes, their rapid rotation leads to discs that can eject a considerable amount of iron during the collapse of the star. The nucleosynthetic yields from these stars can produce constraints on the number of systems formed in this manner, but further work is needed to exploit variations from the initial models presented in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Composition Quantification of SiGeSn Alloys Through Time-of-Flight Secondary Ion Mass Spectrometry: Calibration Methodologies and Validation With Atom Probe Tomography

Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is a powerful technique for elemental compositional analysis and depth profiling of materials. However, it encounters the problem of matrix effects that hinder its application. In this work, we introduce a pioneering ToF-SIMS calibration method tailored for SixGeySnz ternary alloys. SixGe1-x and Ge1-zSnz binary alloys with known compositions are used as calibration reference samples. Through a systematic SIMS quantification study of SiGe and GeSn binary alloys, we unveil a linear correlation between secondary ion intensity ratio and composition ratio for both SiGe and GeSn binary alloys, effectively mitigating the matrix effects. Extracted relative sensitivity factor (RSF) value from SixGe1-x (0.07 < x < 0.83) and Ge1-zSnz (0.066 < z < 0.183) binary alloys are subsequently applied to those of SixGeySnz (0.011 < x < 0.113, 0.863 < y < 0.935 and 0.023 < z < 0.103) ternary alloys for elemental compositions quantification. These values are cross-checked by Atom Probe Tomography (APT) analysis, an indication of the great accuracy and reliability of as-developed ToF-SIMS calibration process. Furthermore, the proposed method and its reference sample selection strategy in this work provide a low-cost as well as simple-to-follow calibration route for SiGeSn composition analysis, thus driving the development of next-generation multifunctional SiGeSn-related semiconductor devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HfZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-zirconium (Hf-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NbTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-titanium (Nb-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP), https://github.com/ORNL/ScalableWorkflow_VASP_Calculations. Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HfTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-titanium (Hf-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

TiV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys titanium-vanadium (Ti-V). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Ti and V. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NATURF: Urban Building Parameters for Chicago, Illinois, USA at a 100m resolution

132 Urban parameters based on building physical dimensions and location were generated for the city of Chicago at 100m resolution using the NATURF model. To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed.

Vernon, Chris R [Pacific Northwest National Labora↗
DOE OSTI2025

Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection

Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection Description This dataset contains input and output data for the manuscript Mongird, K. et al. (under review) titled "Energy Infrastructure Futures: A Multiscale Evaluation of Projected Power Plant Siting Across the Western Interconnection". Input data corresponds to gridded spatial siting attributes that are necessary to conduct a random forest machine learning analysis of siting feature importance. Output data includes SHAP feature analysis outputs, and classification report values. For data on power plant siting results referred to in the manuscript, please refer to the CERF: IM3 Projected Western US Power Plant Locations data download page. The downloadable data includes values for eight different future scenarios for the Western US. The scenarios include combinations of two Shared Socioeconomic Pathways (SSP3 and SSP5) with four high-resolution climate projections specific to the United States (see, https://tgw-data.msdlive.org/). These climate projections include "hotter" and "cooler" variants for two Representative Concentration Pathways (RCP4.5 and RCP8.5). The resulting eight simulations are: rcp45cooler_ssp3 rcp45cooler_ssp5 rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85cooler_ssp3 rcp85cooler_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 Technical Information The dataset includes two sets of data files: (1) CERF gridded siting parameters and (2) Feature analysis outputs and classification reports. All downloadable data is in csv file format. Files with x/y coordinate information use the Albers Equal Area Conic projection (ESRI:102003). 1. CERF Gridded Siting Parameters This directory provides a balanced sample of gridded CERF siting parameters data for eight different scenarios for the Western US through 2055, seven different technologies, and eight timesteps. This data serves as input to the feature analysis. It contains the following parameters. region_name - name of region (i.e., state) sited - binary value representing whether the grid cell received a siting of that technology type (1=True) rcp - binary value representing scenario resource concentration pathway (0 = RCP4.5, 1 = RCP8.5) ssp - binary value representing scenario shared socioeconomic pathway (0 = SSP3, 1 = SSP5) climate - binary value representing cooler (0) or hotter (1) GCM forcing tech_name - generation technology name sited_year - year that values correspond to transmission_cost - cost of transmission interconnection pipeline_cost - cost of natural gas pipeline interconnection interconnection_cost - total interconnection cost (sum of transmission cost and gas pipeline cost) lmp - associated locational marginal value ($/MWh) associated with the grid cell, timestep, scenario, and technology xcoord - x-coordinate of location ycoord - y-coordinate of location 2a. Feature Analysis Output The dataset includes the feature analysis shap output for locational marginal price and interconnection cost. It contains the following parameters. technology - generator technology name scenario - name of scenario feature - name of feature, either locational_marginal_price or interconnection_cost value - the mean of absolute value of SHAP values for given feature 2b. Feature Analysis Classification Report This download includes the classification report associated with each random forest model. The dataset contains the following parameters. technology - generation technology name scenario - name of scenario test - one of precision (the proportion of predicted positives that are actually correct), recall (the proportion of actual positives that were correctly identified), f1-score (the harmonic mean of precision and recall) 0.0 - value of test for classification of 0 (grid cell not chosen for siting) 1.0 - value of test for classification of 1 (grid cell chosen for siting) accuracy - accuracy of model (i.e., fraction of all predictions that were right) macro avg - Simple average of test values for all classes weighted avg - Weighted average of test values for all classes, weighted based on Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall [Pacific Northwest National Labor↗
DOE OSTI2025

Gas and dust dynamics in γ Cephei-type disks

Context. Giant planets are observed orbiting the primary stars of close binary systems. Such planets may have formed in compact circumprimary disks, which once surrounded these stars, under conditions much different than those encountered around single stars. Aims. In order to quantify the effects of the strong gravitational perturbations exerted on circumprimary disk material, the three-dimensional (3D) dynamics of gas and dust in orbit around the primary star of a compact and eccentric binary system was modeled by applying the stellar and orbital parameters of γ Cephei, a well-known system that can be representative of a class of close binaries. Methods. Circumprimary gas was approximated as an Eulerian viscous and compressible fluid and modeled by means of 3D hydrodynamical simulations, assuming locally isothermal conditions in the medium around the primary star. Dust grains were modeled as Lagrangean particles, subjected to gravity and aerodynamic drag forces. Models that include a giant planet were also considered. Results. Models indicate that spiral density waves excited around pericenter passage propagate toward the inner boundary of the disk, through at least a few pressure scale-heights from the mid-plane, inducing radial and vertical mixing in the gas. However, perturbations imparted to gas, both in terms of eccentricity and precession, are far weaker than previously estimated by two-dimensional (2D) simulations. Models predict small eccentricities, ≲0.03, and slow retrograde precession. The addition of a giant planet does not change the low eccentricity state of the disk. The parameters applied to the disk would lead to the formation of a massive planet, many times the mass of Jupiter, in agreement with some observations. Micron to mm-size dust grains are well coupled to the gas, resulting in similar dynamics and statistically similar distributions of orbital elements. The planet only affects the dust distributions locally. In agreement with outcomes of recent 2D models, the lifetime of an isolated circumprimary disk would be brief, ~10 5 years, because of its compact nature, requiring a long-term external supply of mass to allow for the in situ formation of a giant planet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

GR-Athena++: General-relativistic Magnetohydrodynamics Simulations of Neutron Star Spacetimes

We present the extension of GR-Athena++ to general-relativistic magnetohydrodynamics (GRMHD) for applications to neutron star spacetimes. The new solver couples the constrained transport implementation of Athena++ to the Z4c formulation of the Einstein equations to simulate dynamical spacetimes with GRMHD using oct-tree adaptive mesh refinement. We consider benchmark problems for isolated and binary neutron star spacetimes demonstrating stable and convergent results at relatively low resolutions and without grid symmetries imposed. The code correctly captures magnetic field instabilities in nonrotating stars with total relative violation of the divergence-free constraint of 10 –16 . It handles evolutions with a microphysical equation of state and black hole formation in the gravitational collapse of a rapidly rotating star. For binaries, we demonstrate correctness of the evolution under the gravitational radiation reaction and show convergence of gravitational waveforms. We showcase the use of adaptive mesh refinement to resolve the Kelvin–Helmholtz instability at the collisional interface in a merger of magnetised binary neutron stars. GR-Athena++ shows strong scaling efficiencies above 80% in excess of 10 5 CPU cores and excellent weak scaling is shown up to ~5 × 10 5 CPU cores in a realistic production setup. GR-Athena++ allows for the robust simulation of GRMHD flows in strong and dynamical gravity with exa-scale computers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Polarization Switching on the Open Surfaces of the Wurtzite Ferroelectric Nitrides: Ferroelectric Subsystems and Electrochemical Reactivity

Binary ferroelectric nitrides are promising materials for information technologies and power electronics. However, polarization switching in these materials is highly unusual. From the structural perspective, polarization reversal is associated with the change of the effective polarity at the surfaces and interfaces from N‐to‐M terminated, suggesting strong coupling between ferroelectric and chemical phenomena. Phenomenologically, macroscopic studies demonstrate the presence of complex time dependent phenomena including wake‐up. Here, in this study, the polarization switching using the multidimensional high‐resolution piezoresponse force microscopy (PFM) and spectroscopy is explored, detecting both the evolution of induced ferroelectric domain, electromechanical response, and surface deformation during first‐order reversal curve measurements. The presence of two weakly coupled ferroelectric subsystems are demonstrated and the bias‐induced electrochemical reactivity. The observed behaviors are very similar to the recent studies of other wurtzite system but additionally include electrochemical reactivity, suggesting the universality of these behaviors for the wurtzite binary ferroelectrics. These studies suggest potential of high‐resolution multimodal PFM spectroscopies to resolve complex coupled polarization dynamics in materials. Furthermore, these PFM based studies are fully consistent with the recent electron microscopy observations of the shark‐teeth like ferroelectric domains in nitrides. Hence, it is believed that these studies establish the universal phenomenological picture of polarization switching in binary wurtzite.

36 MATERIALS SCIENCE↗