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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.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effect of macroscopic surface defects on dynamic damage: An experimental and numerical study

This study examines the impact of macroscopic surface defects on the dynamic ductile damage behavior of polycrystalline metals using plate-impact experiments. Defects of various shapes (flat, round, and point) were manufactured on the free or impact surfaces of annealed copper specimens. The experiments were diagnosed with photon Doppler velocimetry measurements and soft recovery techniques. The experimental results revealed that defect shape and location significantly affect velocity–time profiles and void distribution. In order to understand the dynamics of shock propagation and corresponding ductile damage evolution within the target specimens, the impact experiments were modeled with a calibrated Tepla model, a dynamic ductile damage model for polycrystalline metals [Nguyen et al., Int. J. Solids Struct. 329, 113833 (2026)]. Overall, our resulting simulated velocity showed good agreement with measured velocity, and our simulated porosity distributions qualitatively matched experimental data. Based on our simulation results, defects on the free surface were found to distort rarefaction waves and therefore the corresponding spall planes. On the other hand, defects on the impact surface generated a delayed shock when the flyer plate and the defected target area were in contact, leading to distortion of the spall plane. The distortion of the spall plane resulted in a non-uniform distribution of voids within the defected specimens. Lastly, we examined the role of local work hardening due to the defect manufacturing process on the velocity and porosity distribution, using Tepla simulations with a simplified representation of local hardening. This investigation highlights the importance of defect geometry, location, and local hardening associated with defect generation in dynamic ductile damage processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In-plane multi-q magnetic ground state of Na 3 Co 2 SbO 6

We report Na 3 Co 2 SbO 6 is a potential Kitaev magnet with a monoclinic layered crystal structure. Recent investigations of the C3-symmetric sister compound Na 2 Co 2 TeO 6 have uncovered a unique triple-q magnetic ground state, as opposed to a single-q (zigzag) one, prompting us to examine the influence of the reduced structural symmetry of Na 3 Co 2 SbO 6 on its ground state. Neutron diffraction data obtained on a twin-free crystal reveal that the ground state remains a multi-q state, despite the system's strong non-C 3 -symmetric anisotropy. This robustness of multi-q orders suggests that they are driven by a common mechanism in the honeycomb cobaltates, such as interactions beyond the bilinear order. Spin-polarized neutron diffraction results show that the ordered moments are entirely in plane, with each staggered component orthogonal to the propagating wave vector. The inferred ground state appears more compatible with the so-called XXZ easy-plane anisotropy than the Kitaev anisotropy, and features unequal ordered moments reduced by strong quantum fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Atomic Evolution of Hydrogen Intercalation Wave Dynamics in Palladium Nanocrystals Revealed by Liquid-Phase Transmission Electron Microscopy

Solute-intercalation-induced phase separation creates spatial heterogeneities in host materials, a phenomenon ubiquitous in batteries, hydrogen storage, and other energy devices. Despite many efforts, probing intercalation processes at the atomic scale has been a significant challenge. By utilizing liquid-phase transmission electron microscopy (TEM), we study hydrogen (de)intercalation in palladium nanocrystals as a model system and have achieved unprecedented atomic-resolution imaging of hydrogen intercalation wave dynamics. Our observations reveal that intercalation wave mechanisms, instead of shrinking-core mechanisms, prevail at ambient temperature for palladium nanocubes ranging from ∼60 nm down to ∼10 nm. Systematic image analysis uncovers the atomic evolution of the hydrogen intercalation wave, transitioning from nonplanar and inclined boundaries to those closely aligned with {100} planes. Our kinetic Monte Carlo simulations demonstrate that the observed intercalation wave dynamics correspond to sorption pathways minimizing the lattice mismatch strain at the phase boundary. In conclusion, unveiling the atomic intercalation pathways holds profound implications for engineering intercalation-mediated devices and advancements in energy sciences.

Lee, Daewon [Lawrence Berkeley National Laboratory↗
DOE OSTI2023

Emergent topological quantum orbits in the charge density wave phase of kagome metal CsV 3 Sb 5

The recently discovered kagome materials AV 3 Sb 5 (A = K, Rb, Cs) attract intense research interest in intertwined topology, superconductivity, and charge density waves (CDW). Although the in-plane 2 × 2 CDW is well studied, its out-of-plane structural correlation with the Fermi surface properties is less understood. In this work, we advance the theoretical description of quantum oscillations and investigate the Fermi surface properties in the three-dimensional CDW phase of CsV 3 Sb 5 . We derived Fermi-energy-resolved and layer-resolved quantum orbits that agree quantitatively with recent experiments in the fundamental frequency, cyclotron mass, and topology. We reveal a complex Dirac nodal network that would lead to a π Berry phase of a quantum orbit in the spinless case. However, the phase shift of topological quantum orbits is contributed by the orbital moment and Zeeman effect besides the Berry phase in the presence of spin-orbital coupling (SOC). Therefore, we can observe topological quantum orbits with a π phase shift in otherwise trivial orbits without SOC, contrary to common perception. Our work reveals the rich topological nature of kagome materials and paves a path to resolve different topological origins of quantum orbits.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Variations of light emission and carrier dynamics around V-defects in InGaN quantum wells

Time- and spectrally-resolved scanning near-field optical microscopy was applied to study spatial variations of photoluminescence (PL) spectra and carrier dynamics in polar InGaN/GaN single quantum wells (QWs) emitting from 410 nm to 570 nm. The main attention was devoted to variations of PL properties and carrier dynamics around V-defects. The PL intensity, peak wavelength, and linewidth, as well as the radiative and nonradiative recombination times, were found to be different in V-defect-rich and defect-free regions. The radiative lifetime close to the defects was longer up to several times, which is attributed to an increased electron and hole wave function separation in the QW plane. PL decay times, measured using excitation and collection through the near-field probe, were one to two orders of magnitude shorter than PL decay times measured in the far field. This shows that the near-field PL decay and the integrated PL intensity are primarily determined by the carrier out-diffusion from under the probe. Only in the immediate vicinity of the V-defects, the near-field PL decays due to the nonradiative recombination at dislocations. The area of such enhanced nonradiative recombination is limited to just a few percent of the total QW area. This shows that recombination via dislocations and V-defects does not play a decisive role in the overall nonradiative recombination and internal quantum efficiency of polar InGaN/GaN QWs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin dynamics and exchange interaction in orthoferrite TbFeO 3 with non-Kramers rare-earth ion

The low-temperature spin dynamics of the orthorhombic TbFeO 3 perovskite has been studied. It has been found that the inelastic neutron scattering (INS) spectrum of the investigated compound contains two modes corresponding to different sublattices. It is shown that the iron subsystem orders antiferromagnetically at T N =632 K and exhibits the high-energy magnon dispersion. The magnetic dynamics of this subsystem has been described within the linear spin wave theory and the in-plane and out-of-plane exchange anisotropy has been demonstrated. The approach proposed previously to describe the magnon dispersion in the TmFeO 3 compound has been used. Three levels of the nondispersive crystal electric field corresponding to Tb 3+ ions have been found in the energy region below 40 meV at about 17, 26, and 35 meV. The behavior of the magnetic correlation length of the terbium subsystem has been determined by studying the diffuse scattering at different temperatures. The evolution of this subsystem has been numerically described within the point charge model. In conclusion, it is shown that the numerical data agree satisfactorily with the experiment and with the general concept of the single-ion approximation applied to the rare-earth subsystem of orthorhombic perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Out-of-Plane Sulfur Distortions in the Bi4O4S3 Superconductor

The local atomic structure of the non-magnetic layered superconductor Bi4O4S3 was investigated using neutron diffraction and pair density function (PDF) analysis. Although on average, the crystal structure is well ordered, evidence for local, out–of–plane sulfur distortions is provided, which may act as a conduit for charge transfer from the SO4 blocks into the superconducting BiS2 planes. In contrast with LaO1−xFxBiS2, no sulfur distortions were detected in the planes, which indicates that charge density wave fluctuations are not supported in Bi4O4S3.

Philip, Sharon S. (ORCID:000000031055718X)↗
DOE OSTI2021

Canted standing spin-wave modes of permalloy thin films observed by ferromagnetic resonance

Non-collinear spin structures in materials that combine perpendicular and in-plane magnetic anisotropies are of great technological interest for microwave and spin wave-assisted magnetization switching. [Co/Pt] multilayers are well-known perpendicular anisotropy materials that have the potential to pin the magnetization of a soft magnetic layer, such as permalloy (Py), that has in-plane anisotropy, thereby forming a magnetic exchange spring. Here we report on multilayered [Co/Pt]/Pt/Py films, where an additional ultrathin Pt spacer has been included to control the coupling between the sub-units with in-plane and perpendicular magnetic anisotropy. Vector network analyser (VNA)-ferromagnetic resonance (FMR) measurements were made to obtain a complete picture of the resonant conditions, while the dynamical response of the sub-units was probed by synchrotron-based element- and phase selective x-ray detected FMR (XFMR). For all samples, only slight pinning of the dynamic magnetization of the Py by the [Co/Pt] was noted, and the FMR results were dominated by the 50 nm thick Py layer. Out-of-plane VNA-FMR maps reveal the presence of additional modes, e.g. a perpendicular standing spin-wave (PSSW) state. However, as the magnetic field is reduced below the saturation field, the PSSW state morphs continuously through a series of canted standing spin-wave (CSSW) states into a horizontal standing spin-wave (HSSW) state. The PSSW, CSSW and HSSW states are well described using a multilayer model of the Py film. The observation of CSSW modes is of particular relevance to microwave assisted magnetic recording, where microwave excitation stimulates precession of a soft layer canted out of plane by a pulsed magnetic field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Dynamic electron correlations with charge order wavelength along all directions in the copper oxide plane

In strongly correlated systems the strength of Coulomb interactions between electrons, relative to their kinetic energy, plays a central role in determining their emergent quantum mechanical phases. We perform resonant x-ray scattering on Bi 2 Sr 2 CaCu 2 O 8+δ , a prototypical cuprate superconductor, to probe electronic correlations within the CuO 2 plane. We discover a dynamic quasi-circular pattern in the x-y scattering plane with a radius that matches the wave vector magnitude of the well-known static charge order. Along with doping- and temperature-dependent measurements, our experiments reveal a picture of charge order competing with superconductivity where short-range domains along x and y can dynamically rotate into any other in-plane direction. This quasi-circular spectrum, a hallmark of Brazovskii-type fluctuations, has immediate consequences to our understanding of rotational and translational symmetry breaking in the cuprates. We discuss how the combination of short- and long-range Coulomb interactions results in an effective non-monotonic potential that may determine the quasi-circular pattern.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Impact of further-range exchange and cubic anisotropy on magnetic excitations in the fcc kagome antiferromagnet IrMn 3

Here, this work investigates the effects of further neighbor exchange and cubic anisotropy on the magnetic excitations of the fcc kagome antiferromagnet IrMn 3 . Spin wave frequencies are calculated using the torque equation and the dynamical structure factor S(Q,ω) is determined by a Green's function method as an extension of our previous work [LeBlanc et al. Phys. Rev. B 90, 144403 (2014)]. These spin wave calculations are compared with inelastic neutron scattering data of polycrystalline IrMn 3 , where magnetic Mn ions occupy lattice sites of ABC-stacked kagome planes. The data are best explained by a spin wave model including exchange interactions up to fourth nearest neighbor and strong cubic anisotropy, as previously predicted by density functional theory calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A Tutorial on Bayesian analysis of linear shock compression data

Gas gun and other shock compression experiments often produce shock wave velocity measurements that are linearly associated with particle velocity. Traditionally, this empirical relationship is quantified with a single Hugoniot curve that is estimated using least squares regression. However, for downstream modeling and simulation tasks, it is often more useful to have multiple Hugoniot curves in the pressure–volume plane that are consistent with the data. We employ Bayesian uncertainty quantification methods as a framework for propagating measurement uncertainty through to model parameters and predictions. Specifically, this Tutorial shows how to sample multiple Hugoniot curves in the pressure–volume plane that are consistent with the shock wave-particle velocity measurements in a two-step Bayesian approach. First, we obtain an analytical expression for the posterior distribution of the linear model parameters using Bayesian linear regression. Second, we propagate samples from the posterior distribution through the Rankine–Hugoniot equations to yield Hugoniot curves in the pressure–volume plane. The procedure is demonstrated with publicly available data on argon, copper, and nickel, and compared against bootstrapping and linear regression. The Bayesian procedure is shown to be interpretable, computationally inexpensive, and less sensitive than an alternative bootstrapping approach to the removal of the point in the copper dataset that has the largest particle velocity. As a Tutorial on Bayesian methodology for the shock compression community, we provide several derivations and explanations that make this paper self-contained, and make all code and data available at github.com/llnl/BALSCD.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Verifying Ray Tracing Amplitude Methods for Global Magnetospheric Modeling

Abstract Ray tracing is a commonly used method for modeling the propagation of electromagnetic waves in Earth's magnetosphere. To apply ray tracing results to global models of wave‐particle interaction such as energetic electron scattering, it is useful to map the discrete rays to a volume filling mesh. However, some methods have inherent losses of energy from the wave source, or do not account for the full range of wave properties within a sample volume. We have developed and tested a 3D magnetospheric ray tracing code “MESHRAY” which resolves these issues. MESHRAY uses the conservation of Poynting flux through ray triplets with finite volume to determine the local field amplitudes. Electromagnetic wave energy density from all ray data points is mapped to a mesh and verified against the wave source power for energy conservation varying time step length, number of rays, and total time steps. We find that the method is self‐consistent and numerically robust. We further investigate whether the neglect of phase information and superposition has a significant impact on the accuracy of mapping wave intensity to a mesh. We find excellent agreement between the analytic solution for waves emitted by a line source in a plane‐stratified medium and an equivalent ray tracing solution. When phase information is excluded, ray tracing reproduces an average amplitude spread over regions of coherent constructive and destructive interference. This may be an important consideration for interpolating ray tracing results of longer wavelength waves such as magnetosonic, electromagnetic ion cyclotron, or ULF waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Theory of terahertz pulse transmission through ferroelectric nanomembranes

An analytical model is developed to predict the temporal evolution of the lattice polarization in ferroelectric nanomembranes upon the excitation by a terahertz (THz) electromagnetic pulse of an arbitrary waveform and the concurrent transmission of the THz pulse in both linear and nonlinear regimes. It involves the use of the perturbation method to solve the equation of motion for the lattice polarization in both unclamped and strained ferroelectric nanomembranes within the framework of Landau-Ginzburg-Devonshire theory. The model is applicable to perovskite oxides such as BaTiO 3 and SrTiO 3 , wurtzite Al 1−𝑥 ⁢Sc 𝑥 ⁢N, and trigonal LiNbO 3 . Our analytical model provides a theoretical basis for determining the thermodynamic and kinetic parameters of ferroelectric materials through a THz transmission experiment. The calculation results also suggest an approach to reversing the chirality of a circularly polarized THz pulse by harnessing the resonant polarization-photon coupling in ferroelectrics. This capability of chirality reversal, along with the high tunability from a strain applied along any arbitrarily oriented in-plane axis, provides new opportunities for THz wave modulation without relying on complex metasurface designs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic anisotropy in ferromagnetic CrI 3

We use neutron scattering to show that ferromagnetic (FM) phase transition in the two-dimensional (2D) honeycomb lattice CrI 3 is a weakly first order transition and controlled by spin-orbit coupling (SOC) induced magnetic anisotropy, instead of magnetic exchange coupling as in a conventional ferromagnet. With increasing temperature, the magnitude of magnetic anisotropy, seen as a spin gap at the Brillouin zone center, decreases in a power law fashion and vanishes at T C , while the in-plane and c-axis spin-wave stiffnesses associated with magnetic exchange couplings remain robust at T C . We also compare parameter regimes where spin waves in CrI 3 can be described by a Heisenberg Hamiltonian with Dzyaloshinskii-Moriya interaction or a Heisenberg-Kitaev Hamiltonian. These results suggest that the SOC induced magnetic anisotropy plays a dominant role in stabilizing the FM order in single layer 2D van der Waals ferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The Robotic Multiobject Focal Plane System of the Dark Energy Spectroscopic Instrument (DESI)

Abstract A system of 5020 robotic fiber positioners was installed in 2019 on the Mayall Telescope, at Kitt Peak National Observatory. The robots automatically retarget their optical fibers every 10–20 minutes, each to a precision of several microns, with a reconfiguration time of fewer than 2 minutes. Over the next 5 yr, they will enable the newly constructed Dark Energy Spectroscopic Instrument (DESI) to measure the spectra of 35 million galaxies and quasars. DESI will produce the largest 3D map of the universe to date and measure the expansion history of the cosmos. In addition to the 5020 robotic positioners and optical fibers, DESI’s Focal Plane System includes six guide cameras, four wave front cameras, 123 fiducial point sources, and a metrology camera mounted at the primary mirror. The system also includes associated structural, thermal, and electrical systems. In all, it contains over 675,000 individual parts. We discuss the design, construction, quality control, and integration of all these components. We include a summary of the key requirements, the review and acceptance process, on-sky validations of requirements, and lessons learned for future multiobject, fiber-fed spectrographs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Neutron scattering study of magnetic anisotropy in the tetragonal antiferromagnet Bi 2 CuO 4

In this work, we present a comprehensive study of magnon excitations in the tetragonal easy-plane antiferromagnet Bi 2 CuO 4 using inelastic neutron scattering and spin-wave analyses. The nature of low-energy magnons, and hence the anisotropy in this material, has been controversial. We show unambiguously that the low-energy magnon spectrum consists of a gapped and a gapless mode, which we attribute to out-of-plane and in-plane spin fluctuations, respectively. We modeled the observed magnon spectrum using linear spin-wave analysis of a minimal anisotropic spin model motivated by the lattice symmetry. By studying the magnetic field dependence of the (1,0,0) Bragg peak intensity and the in-plane magnon intensity, we observed a spin-flop transition in the ab plane at ~0.4 T, which directly indicates the existence of a small in-plane anisotropy that is classically forbidden. It is only by taking into account magnon zero-point fluctuations beyond the linear spin-wave approximation that we could explain this in-plane anisotropy and its magnitude, the latter of which is deduced from the critical field of the spin-flop transition. The microscopic origins of the observed anisotropic interactions are also discussed. We found that our data are inconsistent with a large Dzyaloshinskii-Moriya interaction, which suggests a potential departure of Bi 2 CuO 4 from the conventional theories of magnetic anisotropy for other cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La 3 Ni 2 O 6 under pressure: Different role of d 3 z 2 - r 2 orbital compared with La 3 Ni 2 O 7

The recent discovery of superconductivity in bilayer La 3 Ni 2 O 7 (327-LNO) under pressure stimulated much interest in layered nickelates. However, superconductivity was not found in another bilayer nickelate system, La 3 Ni 2 O 6 (326-LNO), even under pressure. To understand the similarities and differences between 326-LNO and 327-LNO, using density functional theory and the random phase approximation (RPA), we systematically investigate 326-LNO under pressure. The large crystal-field splitting between the e g orbitals caused by the missing apical oxygen moves the d 3z 2 -r 2 orbital farther away from the Fermi level, implying that the d 3z 2 -r 2 orbital plays a less important role in 326-LNO than in 327-LNO. This also results in a smaller bandwidth for the d x 2 -y 2 orbital and a reduced energy gap for the bonding-antibonding splitting of the d 3z 2 -r 2 orbital in 326-LNO, as compared to 327-LNO. Moreover, the in-plane hybridization between the d x 2 -y 2 and d 3z 2 -r 2 orbitals is found to be small in 326-LNO, while it is much stronger in 327-LNO. Furthermore, the low-spin ferromagnetic state is found to be the likely ground state in 326-LNO under high pressure. The weak interlayer coupling suggests that s ± -wave pairing is unlikely in 326-LNO. The robust in-plane ferromagnetic coupling also suggests that d-wave superconductivity, which is usually caused by antiferromagnetic fluctuations of the d x 2 -y 2 orbital, is also unlikely in 326-LNO. These conclusions are supported by our many-body RPA calculations of the pairing behavior. Additionally, contrasting with the cuprates, for the bilayer cuprate HgBa 2 CaCu 2 O 6 , we find a strong self-doping effect of the d x 2 -y 2 orbital under pressure, with the charge of Cu being reduced by approximately 0.13 electrons from 0 GPa to 25 GPa. In contrast, we do not observe such a change in the electronic density in 326-LNO under pressure, establishing another important difference between the nickelates and the cuprates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development and preliminary results of 270 GHz microwave forward scattering diagnostic system on the experimental advanced superconducting tokamak (EAST)

To measure localized (intermediate, high) poloidal wavenumber electron density fluctuations, a tangential millimeter-wave collective scattering system has been designed and successfully developed on the experimental advanced superconducting tokamak (EAST). This innovative system employs a 270 GHz mm-wave probe beam, emitted from the mid-plane of Port K and directed towards Port P after passing through a combination of two in-vessel mirrors. Here these two ports are located on the EAST device’s midplane and are 110° apart. The downward scattered signals pass through two in-vessel mirrors, and exit through the P window. The received multi-channel separated scattering signals are arranged along the poloidal direction. This optical arrangement makes the monitored turbulent wave number is poloidal dominant and up to 40 cm −1 . The tangential microwave scattering scheme enables this diagnostic to monitor local density fluctuations, with typically a radial spatial resolution △ R = 5 cm, and a wavenumber resolution of △ k = 0.4 cm −1 . The scattering system underwent comprehensive laboratory testing in 2023, with installation finalized in 2024. The system features steerable launch and receiver optics, allowing remote control to position the scattering volume from normalized radius ρ –0 to the pedestal region on a shot-by-shot basis. Effective experimental data, characterized by distinct off-center spectral peaks, have been successfully obtained in neutral beam-heated plasmas on EAST. The beam tracing forward modeling has been employed for experimental data interpretation. The advanced millimeter-wave scattering system provides fluctuation measurement capability from ion temperature gradient to electron temperature gradient scale on low field side. Preliminary experimental density fluctuation data have been successfully obtained in neutral beam-heated plasmas on EAST. The localized measurement will be used for kinetic turbulence transport numerical simulation validation.

high-k collective scattering↗