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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Three-dimensional modeling and simulations of single-crystal and bi-crystal titanium for high-strain-rate loading conditions

High purity single crystal titanium (Ti) under shock wave loading is modeled under both one-dimensional and three-dimensional cylindrical conditions. Cylinder sizes of 10 μm and 20 μm radius are both considered in order to assess influence of boundary conditions. A thermodynamically consistent single crystal model for application to shock conditions is presented. The model accounts for the coupled non-linear elastic, dislocation slip, deformation twinning, and structural phase transformation response of the titanium material. Plate impact experiment results using a copper flyer are used to compare against the simulations for crystals oriented in [0001] and [10$\overline1$1] crystallographic directions. The one-dimensional and threedimensional simulations of the two differently oriented single crystals indicate differences between the one-dimensional and three-dimensional representation, especially for the [10$\overline1$1] oriented single crystal. This orientation breaks the relative orientation symmetry between the crystal and cylinder which otherwise exists for the [0001] oriented single crystal. A significant amount of heterogeneity in the field response of the[10$\overline1$1] oriented simulation was demonstrated due to the highly coupled nature of the deformation. A bi-crystal model composed of both the [0001] and [10$\overline1$1] orientations with the boundary between the two along the axis of the cylinder is also considered for a cylinder model size of 10 μm. The results indicate a strong interaction between the two grains that affects the ω phase volume fraction achieved relative to the single crystal calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A physics-informed operator regression framework for extracting data-driven continuum models

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

42 ENGINEERING↗
DOE OSTI2024

Magnetic ordering in Eu 2 In and Eu 2 Sn

Eu 2 In and Eu 2 Sn crystallize in the orthorhombic Co 2 Si-type structure (oP12, Pnma, No. 62) with In and Sn atoms occupying one 4c site and the Eu atoms filling two other 4c sites. Eu 2 In has a nearly ideal first-order magnetostructural transition (FOMT) at 55 K with a hysteresis of less than 0.1 K, a large entropy change and an adiabatic temperature change of 5.0 K in a field of 2 T. The anhysteretic nature of the FOMT is likely due to there being no change in cell symmetry and relatively small changes in the lattice parameters. There is no magnetostructural transition in Eu2Sn. In this work we present the results of powder neutron diffraction, magnetization, and Eu Mössbauer spectroscopy aimed to investigate the nature of magnetic order for both Eu 2 In and Eu 2 Sn. The Eu Mössbauer spectrum of Eu 2 In at 5 K shows two equal area components, consistent with Eu occupying two equal multiplicity crystallographic sites. However, the different hyperfine fields (B) of 27 T and 17 T suggest that the magnetic environments of the Eu moments on the two 4c sites are different. Neutron diffraction data at 2.5 K show that in Eu 2 In the order is ferromagnetic, with Eu moments on both Eu sites oriented parallel to the a-axis; moment values of 6.8 μB and 6.5 μB were found. For Eu 2 Sn measurements find two antiferromagnetic transitions, which are corroborated by neutron diffraction. Analysis of density-functional theory calculations shows negligible energy difference between differing magnetic configurations, indirectly supporting stability of multiple magnetic structures observed experimentally. While the transition at T N1 = 30 K corresponds to the formation of a simple k 1 = 0 antiferromagnetic structure with Eu-moments pointing along the b-axis, at T N2 = 13 K a coexisting second magnetic order with k 2 = [0, ½, ½] appears.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Suhl instabilities in nanoscopic spheroids

We simulate the magnetization dynamics of a permalloy spheroid of nanoscopic size in zero external field, such that both dipolar and exchange interactions are important. Low excitation power is used to obtain the frequencies and mode patterns of many normal modes. At higher power, non-linear three and four mode couplings between magnons carrying orbital angular momentum are observed to give rise to Suhl instabilities. Suhl’s analysis of the selection rules governing the allowed processes is extended to initial states other than uniform precession. These rules are studied and confirmed by the simulations. Both down- and up-conversion are seen as well as three and four-mode processes. As a result, general trends are inferred for preferred instabilities among those that are allowed, although the thresholds for some instabilities appear to be very high.

3D nanomagnetism↗
DOE OSTI2021

Precision tests of fundamental physics with η and η ' mesons

Decays of the neutral and long-lived $\eta$ and $\eta'$ mesons provide a unique, flavor-conserving laboratory to test low-energy Quantum Chromodynamics and search for new physics beyond the Standard Model. They have drawn world-wide attention in recent years and have inspired broad experimental programs in different high-intensity-frontier centers. Additionally, new experimental data will offer critical inputs to precisely determine the light quark mass ratios, $\eta$-$\eta'$ mixing parameters, and hadronic contributions to the anomalous magnetic moment of the muon. At the same time, it will provide a sensitive probe to test potential new physics. This includes searches for hidden photons, light Higgs scalars, and axion-like particles that are complementary to worldwide efforts to detect new light particles below the GeV mass scale, as well as tests of discrete symmetry violation. In this review, we give an update on theoretical developments, discuss the experimental opportunities, and identify future research needed in this field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Synthesis, Magnetic Properties, and Electronic Structure of Magnetic Topological Insulator MnBi 2 Se 4

The intrinsic magnetic topological insulators MnBi 2 Te 4 and MnBi 2 Se 4 support novel topological states related to symmetry breaking by magnetic order. Unlike MnBi 2 Te 4 , the study of MnBi 2 Se 4 has been inhibited by the lack of bulk crystals, as the van der Waals (vdW) crystal is not the thermodynamic equilibrium phase. In this study, we report the layer-by-layer synthesis of vdW MnBi 2 Se 4 crystals using nonequilibrium molecular beam epitaxy. Atomic-resolution scanning transmission electron microscopy and scanning tunneling microscopy identify a well-ordered vdW crystal with septuple-layer base units. The magnetic properties agree with the predicted layered antiferromagnetic ordering but disagree with its predicted out-of-plane orientation. Instead, our samples exhibit an easy-plane anisotropy, which is explained by including dipole–dipole interactions. Angle-resolved photoemission spectroscopy reveals the gapless Dirac-like surface state, which demonstrates that MnBi 2 Se 4 is a topological insulator above the magnetic-ordering temperature. These studies show that MnBi 2 Se 4 is a promising candidate for exploring rich topological phases of layered antiferromagnetic topological insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Plasmonic Nonlinear Energy Transfer Enhanced Second Harmonic Generation Nanoscopy

Nonlinear optical response is a fingerprint of various physicochemical properties of materials related to symmetry, including crystallography, interfacial configuration, and carrier dynamics. However, the intrinsically weak nonlinear optical susceptibility and the diffraction limit of far-field optics restrict probing deep-subwavelength-scale nonlinear optics with measurable signal-to-noise ratio. Here, we propose an alternative approach toward efficient second harmonic generation (SHG) nanoscopy for SHG-active sample (zinc oxide nanowire; ZnO NW) using an SHG-active plasmonic nanotip. Our full-wave simulation suggests that the experimentally observed high near-field SHG contrast is possible when the nonlinear response of ZnO NW is enhanced and/or that of the tip is suppressed. Here, this result suggests possible evidence of quantum mechanical nonlinear energy transfer between the tip and the sample, modifying the nonlinear optical susceptibility. Further, this process probes the nanoscale corrosion of ZnO NW, demonstrating potential use in studying various physicochemical phenomena in nanoscale resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Predicting solid state material platforms for quantum technologies

Semiconductor materials provide a compelling platform for quantum technologies (QT). However, identifying promising material hosts among the plethora of candidates is a major challenge. Therefore, we have developed a framework for the automated discovery of semiconductor platforms for QT using material informatics and machine learning methods. Different approaches were implemented to label data for training the supervised machine learning (ML) algorithms logistic regression, decision trees, random forests and gradient boosting. We find that an empirical approach relying exclusively on findings from the literature yields a clear separation between predicted suitable and unsuitable candidates. In contrast to expectations from the literature focusing on band gap and ionic character as important properties for QT compatibility, the ML methods highlight features related to symmetry and crystal structure, including bond length, orientation and radial distribution, as influential when predicting a material as suitable for QT.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dark states of electrons in a quantum system with two pairs of sublattices

A quantum state of matter that is forbidden to interact with photons and is therefore undetectable by spectroscopic means is called a dark state. This basic concept can be applied to condensed matter where it suggests that a whole band of quantum states could be undetectable across a full Brillouin zone. Here we report the discovery of such condensed-matter dark states in palladium diselenide as a model system that has two pairs of sublattices in the primitive cell. By using angle-resolved photoemission spectroscopy, we find valence bands that are practically unobservable over the whole Brillouin zone at any photon energy, polarization and scattering plane. Our model shows that two pairs of sublattices located at half-translation positions and related by multiple glide-mirror symmetries make their relative quantum phases polarized into only four kinds, three of which become dark due to double destructive interference. This mechanism is generic to other systems with two pairs of sublattices, and we show how the phenomena observed in cuprates, lead halide perovskites and density wave systems can be resolved by the mechanism of dark states. Our results suggest that the sublattice degree of freedom, which has been overlooked so far, should be considered in the study of correlated phenomena and optoelectronic characteristics.

electronic properties and materials↗
DOE OSTI2023

Anisotropy of Electronic Spin Texture in the High-Temperature Cuprate Superconductor Bi 2 Sr 2 CaCu 2 O 8+δ

Seeking new order parameters and the related broken symmetry and studying their relationship with phase transition have been important topics in condensed matter physics. We report by using spin- and angle-resolved photoemission spectroscopy, we confirm the helical spin texture caused by spin-layer locking in the nodal region in the cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ and discover the anisotropy of spin polarizations at nodes along Γ–X and Γ–Y directions. The breaking of C 4 rotational symmetry in electronic spin texture may give deeper insights into understanding the ground state of cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Limit on the anisotropy of the one-way maximum attainable speed of the electron

We report here the first experimental result for the anisotropy of the one-way maximum attainable speed of the electron, $\vec{\Delta c_{1,e}}$, obtained via the study of a sidereal time dependence of a difference between the electron and positron beam momenta in the CESR storage ring at Cornell University. At 95 percent confidence, an upper limit for the component of $\Delta \vec {c}_{1,e}/c$ perpendicular to Earth's rotational axis is found to be $5.5 \times 10^{-15}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

Because of the lack of a net magnetic moment, antiferromagnets possess a unique robustness to external magnetic fields and are thus predicted to play an important role in future magnetic technologies. However, this robustness also makes them quite difficult to control, and the development of novel methods to manipulate these systems with external stimuli is a fundamental goal of antiferromagnetic spintronics. In this work, we report evidence for a metastable reorientation of the order parameter in an antiferromagnetic semiconductor triggered by an ultrafast quench of the equilibrium order via photoexcitation above the band gap. The metastable state forms less than 10 ps after the excitation pulse, and persists for longer than 150 ps before decaying to the ground state via thermal fluctuations. Importantly, this transition cannot be induced thermodynamically, and requires the system to be driven out of equilibrium. Broadly speaking, this phenomenology is ultimately the result of large magnetoelastic coupling in combination with a relatively low symmetry of the magnetic ground state. Since neither of these properties are particularly uncommon in magnetic materials, the observations presented here imply a generic path toward novel device technology enabled by ultrafast dynamics in antiferromagnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Strain phase equilibria and phase‐field method of ferroelectric polydomain: A case study of monoclinic K x Na 1 − x NbO 3 thin films

Abstract Knowledge of the thermodynamic equilibria and domain structures of ferroelectrics is critical to establishing their structure–property relationships that underpin their applications from piezoelectric devices to nonlinear optics. Here, we establish the strain condition for strain phase separation and polydomain formation and analytically predict the corresponding domain volume fractions and wall orientations of, relatively low symmetry and theoretically more challenging, monoclinic ferroelectric thin films by integrating thermodynamics of ferroelectrics, strain phase equilibria theory, microelasticity, and phase‐field method. Using monoclinic K x Na 1 − x NbO 3 (0.5 < x < 1.0) thin films as a model system, we establish the polydomain strain–strain phase diagrams, from which we identify two types of monoclinic polydomain structures. The analytically predicted strain conditions of formation, domain volume fractions, and domain wall orientations for the two polydomain structures are consistent with phase‐field simulations and in good agreement with experimental results in the literature. The present study demonstrates a general, powerful analytical theoretical framework to predict the strain phase equilibria and domain wall orientations of polydomain structures applicable to both high‐ and low‐symmetry ferroelectrics and provide fundamental insights into the equilibrium domain structures of ferroelectric K x Na 1 − x NbO 3 thin films that are of technology relevance for lead‐free dielectric and piezoelectric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Field theories with a vector global symmetry

Motivated by recent discussions of fractons, we explore nonrelativistic field theories with a continuous global symmetry, whose charge is a spatial vector. We present several such symmetries and demonstrate them in concrete examples. They differ by the equations their Noether currents satisfy. Simple cases, other than the translation symmetry, are an ordinary (relativistic) one-form global symmetry and its nonrelativistic generalization. In the latter case the conserved charge is associated with a codimension-one spatial manifold, but it is not topological. More general examples involve charges that are integrated over the entire space. We also discuss the coupling of these systems to gauge fields for these symmetries. We relate our examples to known continuum and lattice constructions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Subaru Near-infrared Imaging Polarimetry of Misaligned Disks around the SR 24 Hierarchical Triple System

The SR 24 multistar system hosts both circumprimary and circumsecondary disks, which are strongly misaligned with each other. The circumsecondary disk is circumbinary in nature. Interestingly, both disks are interacting, and they possibly rotate in opposite directions. To investigate the nature of this unique twin disk system, we present 0.″1 resolution near-infrared polarized intensity images of the circumstellar structures around SR 24, obtained with HiCIAO mounted on the Subaru 8.2 m telescope. Both the circumprimary disk and the circumsecondary disk are resolved and have elongated features. While the position angle of the major axis and radius of the near-IR (NIR) polarization disk around SR 24S are 55° and 137 au, respectively, those around SR 24N are 110° and 34 au, respectively. With regard to overall morphology, the circumprimary disk around SR 24S shows strong asymmetry, whereas the circumsecondary disk around SR 24N shows relatively strong symmetry. Our NIR observations confirm the previous claim that the circumprimary and circumsecondary disks are misaligned from each other. Both the circumprimary and circumsecondary disks show similar structures in {sup 12}CO observations in terms of its size and elongation direction. This consistency is because both NIR and {sup 12}CO are tracing surface layers of the flared disks. As the radius of the polarization disk around SR 24N is roughly consistent with the size of the outer Roche lobe, it is natural to interpret the polarization disk around SR 24N as a circumbinary disk surrounding the SR 24Nb–Nc system.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

An analysis of the structure of Saturn's magnetic field using charged particle absorption signatures

A new technique is derived for determining the structure of Saturn's magnetic field. This technique uses the observed positions of charged particle signatures due to the satellites and rings of Saturn to determine the parameters of an axially symmetric, spherical harmonic model of the magnetic field using the method of least squares. Absorption signatures observed along the Pioneer 11, Voyager 1, and Voyager 2 spacecraft trajectories are used to derive values for the orientation of the magnetic symmetry axis relative to Saturn's axis of rotation, the axial displacement of the center of the magnetic dipole from the center of Saturn, and the magnitude of the external field component. Comparing these results with the magnetic field model parameters deduced from analyses of magnetometer data leads to a preference for models that incorporate a northward offset of the dipole center by about 0.05 Saturn radii.

Chenette, D. L.↗
NASA NTRS1994

The Local Supercluster as a test of cosmological models

The Local Supercluster kinematic properties (the Local Group infall toward the Virgo Cluster and galaxy density distribution about the Virgo Cluster) in various cosmological models are examined utilizing large-scale N-body (PM) simulations 500(exp 3) cells, 250(exp 3) particles, and box size of 400 h(exp -1) Mpc) and are compared to observations. Five models are investigated: (1) the standard, Cosmic Background Explorer Satellite (COBE)-normalized cold dark matter (CDM) model with omega = 1, h = 0.5, and sigma(sub 8) = 1.05; (2) the standard Hot Dark Matter (HDM) model with omega = 1, h = 0.75, and sigma(sub 8) = 1; (3) the tilted CDM model with omega = 1, h = 0.5, n = 0.7, and sigma(sub 8) = 0.5; (4) a CDM + lambda model with omega = 0.3, lambda = 0.7, h = 2/3, and sigma(sub 8) = 2/3; (5) the PBI model with omega = 0.2, h = 0.8, x = 0.1, m = -0.5, and sigma(sub 8) = 0.9. Comparison of the five models with the presently available observational measurements v(sub LG) = 85 - 305 km/s (with mean of 250 km/s), delta(n(sub g))/(n(sub g)-bar) = 1.40 + or - 0.35) suggests that an open universe with omega approximately 0.5 (with or without lambda) and sigma(sub 8) approximately 0.8 is preferred, with omega = 0.3-1.0 (with or without lambda) and sigma(sub 8) = 0.7-1.0 being the acceptable range. At variance with some previous claims based on either direct N-body or spherical nonlinear approaches, we find that a flat model with sigma(sub 8) approximately 0.7-1.0 seems to be reasonably consistent with observations. However, if one favors the low limit of v(sub LG) = 85 km/s, then an omega approximately 0.2-0.3 universe seems to provide a better fit, and flat (omega = 1) models are ruled out at approximately 95% confidence level. On the other hand, if the high limit of v(sub LG) = 350 km/s is closer to the truth, then it appears that omega approximately 0.7-0.8 is more consistent. This test is insensitive to the shape of the power spectrum, but rather sensitive to the normalization of the perturbation amplitude on the relevant scale (e.g., sigma(sub 8)) and omega. We find that neither linear nor nonlinear relations (with spherical symmetry) are good approximations for the relation between radial peculiar velocity and density perturbation, i.e., nonspherical effects and gravitational tidal field are important. The derived omega using either of the two relations is underestimated. In some cases, this error is as large as a factor of 2-4.

Cen, Renyue↗