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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Universal time-dependent Ginzburg-Landau theory

We study the hydrodynamics of superconductors within the framework of Schwinger-Keldysh effective field theory (EFT). We show that in the vicinity of the superconducting phase transition the most general leading-order EFT satisfying the local Kubo-Martin-Schwinger condition is described by a version of the time-dependent Ginzburg-Landau (TDGL) equations augmented with stochastic terms. This version of TDGL is applicable in the gapless regime independent of any microscopic details. Within this approach, it is possible to include systematically the effects of nonuniform temperature and heat conductivity, as well as explicit or spontaneous breaking of time reversal. Here, we also introduce a thermal version of the Josephson relation and use it to construct an exotic hydrodynamics describing a phase of matter where heat can flow without dissipation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A score-based diffusion model approach for adaptive learning of stochastic partial differential equation solutions

In this paper, we propose a novel framework for adaptively learning the time-evolving solutions of stochastic partial differential equations (SPDEs) using score-based diffusion models within a recursive Bayesian inference setting. SPDEs play a central role in modeling complex physical systems under uncertainty, but their numerical solutions often suffer from model errors and reduced accuracy due to incomplete physical knowledge and environmental variability. To address these challenges, we encode the governing physics into the score function of a diffusion model using simulation data and incorporate observational information via a likelihood-based correction in a reverse-time stochastic differential equation. This enables adaptive learning through iterative refinement of the solution as new data becomes available. To improve computational efficiency in high-dimensional settings, we introduce the ensemble score filter, a training-free approximation of the score function designed for real-time inference. Numerical experiments on benchmark SPDEs demonstrate the accuracy and robustness of the proposed method under sparse and noisy observations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An autoencoder compression approach for accelerating large-scale inverse problems

Abstract Partial differential equation (PDE)-constrained inverse problems are some of the most challenging and computationally demanding problems in computational science today. Fine meshes required to accurately compute the PDE solution introduce an enormous number of parameters and require large-scale computing resources such as more processors and more memory to solve such systems in a reasonable time. For inverse problems constrained by time-dependent PDEs, the adjoint method often employed to compute gradients and higher order derivatives efficiently requires solving a time-reversed, so-called adjoint PDE that depends on the forward PDE solution at each timestep. This necessitates the storage of a high-dimensional forward solution vector at every timestep. Such a procedure quickly exhausts the available memory resources. Several approaches that trade additional computation for reduced memory footprint have been proposed to mitigate the memory bottleneck, including checkpointing and compression strategies. In this work, we propose a close-to-ideal scalable compression approach using autoencoders to eliminate the need for checkpointing and substantial memory storage, thereby reducing the time-to-solution and memory requirements. We compare our approach with checkpointing and an off-the-shelf compression approach on an earth-scale ill-posed seismic inverse problem. The results verify the expected close-to-ideal speedup for the gradient and Hessian-vector product using the proposed autoencoder compression approach. To highlight the usefulness of the proposed approach, we combine the autoencoder compression with the data-informed active subspace (DIAS) prior showing how the DIAS method can be affordably extended to large-scale problems without the need for checkpointing and large memory.

Mathematics↗
DOE OSTI2022

Quantum Computing with Majorana Kramers Pairs

Here, we propose a universal gate set acting on a qubit formed by the degenerate ground states of a Coulomb-blockaded time-reversal invariant topological superconductor island with spatially separated Majorana Kramers pairs: the “Majorana Kramers qubit.” All gate operations are implemented by coupling the Majorana Kramers pairs to conventional superconducting leads. Interestingly, in such an all-superconducting device, the energy gap of the leads provides another layer of protection from quasiparticle poisoning independent of the island charging energy. Moreover, the absence of strong magnetic fields—which typically reduce the superconducting gap size of the island—suggests a unique robustness of our qubit to quasiparticle poisoning due to thermal excitations. Consequently, the Majorana Kramers qubit should benefit from prolonged coherence times and may provide an alternative route to a Majorana-based quantum computer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Logical Majorana zero modes in a nanowire network

We present a scheme to use physical Majorana quasizero modes at each junction of a two-dimensional nanowire network to build a logical Majorana zero mode, the location of which is controllable through gate voltages. The wire network is a way to realize a recent proposal to imprint a Kekulé vortex pattern on a honeycomb lattice via gate voltages. We show that a specific type of junction, other than a naive Y or T junction, is needed to realize, without breaking time-reversal symmetry, an artificial “graphene” system with Majorana fermions instead of complex ones at each site. The junction we propose (i) traps exactly one physical Majorana (quasi)zero mode at each site of either a brick wall or honeycomb lattice and (ii) allows this mode to hybridize with all three neighboring sites. Using a lattice of these junctions and starting from an electronic, tight-binding model for the wires, we imprint the voltage patterns corresponding to the Kekulé vortex and observe the emergence of the logical Majorana zero mode at the vortex core. By suitable adiabatic modulations of gate voltages as a function of time, the positions of individual Kekulé vortices can be moved, and in this manner, non-Abelian braiding of the logical Majoranas bound to the vortex cores can be performed. We provide the range of parameters where these excitations could be realized experimentally.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Combining different 3-D global and regional seismic wave propagation solvers towards box tomography in the deep Earth

SUMMARY In previous publications, we presented a general framework, which we called ‘box tomography’, that allows the coupling of any two different numerical seismic wave propagation solvers, respectively outside and inside a target region, or ‘box’. The goal of such hybrid wavefield computations is to reduce the cost of computations in the context of full-waveform inversion for structure within the target region, when sources and/or receivers are located at large distances from the box. Previously, we had demonstrated this approach with sources and receivers outside the target region in a 2-D acoustic spherical earth model, and demonstrated and applied this methodology in the 3-D spherical elastic Earth in a continental scale inversion in which all stations were inside the target region. Here we extend the implementation of the approach to the case of a 3-D global elastic earth model in the case where both sources and stations are outside the box. We couple a global 3-D solver, SPECFEM3D_GLOBE, for the computation of the wavefield and Green’s functions in a reference 3-D model, with a regional 3-D solver, RegSEM, for the computation of the wavefield within the box, by means of time-reversal mirrors. We briefly review key theoretical aspects, showing in particular how only the displacement is needed to be stored at the boundary of the box. We provide details of the practical implementation, including the geometrical design of the mirrors, how we deal with different sizes of meshes in the two solvers, and how we address memory-saving through the use of B-spline compression of the recorded wavefield on the mirror. The proposed approach is numerically efficient but also versatile, since adapting it to other solvers is straightforward and does not require any changes in the solver codes themselves, as long as the displacement can be recovered at any point in time and space. We present benchmarks of the hybrid computations against direct computations of the wavefield between a source and an array of stations in a realistic geometry centred in the Yellowstone region, with and without a hypothetical plume within the ‘box’, and with a 1-D or a 3-D background model, down to a period of 20 s. The ultimate goal of this development is for applications in the context of imaging of remote target regions in the deep mantle, such as, for example, Ultra Low Velocity Zones.

Geochemistry & Geophysics↗
DOE OSTI2023

Closed Loop Time and the Topology of Totality

The author suggests a cosmology based on just two principles: (1) no boundaries to spacetime and (2) no physical infinities. On the hypothesis that these are exactly true, and that charge conjugation, parity and time reversal invariance (CPT) is a perfect symmetry at the big bang, answers are provided to many puzzles, such as what happened to the antimatter, what happened before the big bang, and what will happen in the far future? Consequences are that our universe U is closed (with positive curvature) and so the total energy, angular momentum and charge of the universe must be zero. At the big bang a universe-antiuniverse pair, UU¯ is created as a virtual fluctuation in what we may call Outer SpaceTime, along with a vast number of other disconnected universes—the multiverse. The CPT-conjugate U¯ has identical physics (and matter content) to U; other UU¯ pairs in the multiverse have different physics parameters. A consequence is that time at the fundamental particle level à la Feynman must be distinct from thermodynamic time. The UU¯ forms a closed loop.

Albrow, Michael G.↗
DOE OSTI2022

Test of nuclear decay rate variation due to an antineutrino flux

Unexplained variations of the decay rate parameter for weak interaction decays such as β ± decay, electron capture, as well as strong interaction α decay have been reported. Because these variations have been presented by a number of groups, at various locations, using various types of detectors, different isotopes, and over extended periods of time, some researchers have interpreted the source of these variations as not from ambient environmental factors such as temperature, pressure, and humidity but via an unexplained fundamental interaction. The state of decay rate parameter variations experiments is reviewed, and the reported results are placed into a common comparable context by defining a phenomenological cross section. After that we make decay parameter measurements as a function of time at the level of 10 -5 in the presences of an antineutrino flux with an on-off cycle time of ≈ 30 days. This level of precision requires a detailed understanding of both systematic and statistical errors; otherwise, systematic errors in the measurement may mimic the decay events of fundamental interactions. The experiment searched for variation of the $^{54}_{25}$Mn, e - capture decay rate parameter and $^{137}_{55}$Cs, β - decay rate parameter both to a level of precision of 1 part in ≈10 5 by comparing the difference between the decay rate in the presence of an antineutrino flux ≈ 3 x 10 12 $\bar{ν}$ cm -2 s -1 and no flux measurements. The experiment was located 6.53 m from the reactor core of the High Flux Isotope Reactor at the Oak Ridge National Laboratory. Two weak interaction decays, one via electron capture and the other via β - decay, were selected because the final state and the time reverse state each contain a neutrino and antineutrino, covering arguments that the antineutrino flux may interact differently or not at all in one of the cases. The $\gamma$ spectra from both decays were collected and analyzed independently. The measured variation in the decay rate parameters are found to be δλ/λ =(0.034 ± 1.38) x10 -5 for $^{54}_{25}$Mn and δλ/λ =(0.67±1.56) x10 -5 for $^{137}_{55}$Cs. These results are consistent with no measurable decay rate parameter variation due to an antineutrino flux, yielding a 68% confidence level upper limit sensitivity for $^{54}_{25}$Mn δλ/λ ≤ 1.31 x 10 -5 or σ ≤ 1.29 x10 -25 cm 2 in cross section and for $^{137}_{55}$Cs δλ/λ ≤ 2.23 x 10 -5 or σ ≤ 5.69 x10 -27 cm 2 . The cross-section upper limit obtained in these null or no observable effect measurements are ≈ 10 4 times more sensitive than past experiments reporting positive results in 54 Mn and 137 Cs. . .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Octupolar versus Néel Order in Cubic 5d 2 Double Perovskites

We report time-of-flight neutron spectroscopy and neutron and x-ray diffraction studies of the 5 d 2 double perovskite magnets, Ba 2 M OsO 6 ( M = Zn , Mg , Ca ). We find that these materials host antiferromagnetically coupled 5 d 2 Os 6 + ions decorating a face-centered cubic (fcc) lattice and are found to remain cubic down to the lowest temperatures. They all exhibit thermodynamic anomalies consistent with a single phase transition at a temperature T * , and a gapped magnetic excitation spectrum with spectral weight concentrated at wave vectors typical of type-I antiferromagnetic orders. However, while muon spin resonance experiments show clear evidence for time-reversal symmetry breaking below T * , we observe no corresponding magnetic Bragg scattering signal. These results are shown to be consistent with ferro-octupolar symmetry breaking below T * , and are discussed in the context of other 5 d double perovskite magnets and theories of exotic orders driven by multipolar interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Discovery of an Intrinsic Antiferromagnetic Semiconductor EuSc 2 Te 4 With Magnetism‐Driven Nonlinear Transport

Magnetic topological materials have recently emerged as a promising platform for studying quantum geometry by the nonlinear transport in thin film devices. In this work, an antiferromagnetic (AFM) semiconductor EuSc₂Te₄ as the first bulk crystal that exhibits quantum geometry-driven nonlinear transport is reported. This material crystallizes into an orthorhombic lattice with AFM order below 5.2 K and a bandgap of less than 50 meV. The calculated band structure aligns with the angle-resolved photoemission spectroscopy spectrum. The AFM order preserves combined space-time inversion symmetry but breaks both spatial inversion and time-reversal symmetry, leading to the nonlinear Hall effect (NLHE). Nonlinear Hall voltage measured in bulk crystals appears at zero field, peaks near the spin-flop transition as the field increases, and then diminishes as the spin moments align into a ferromagnetic order. This field dependence, along with the scaling analysis of the nonlinear Hall conductivity, suggests that the NLHE of EuSc₂Te₄ involves contributions from quantum metric, in addition to extrinsic contributions, such as spin scattering and junction effects. Furthermore, this NLHE is found to have the functionality of broadband frequency mixing, indicating its potential applications in electronics. This work reveals a new avenue for studying magnetism-induced nonlinear transport in magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Toward Tunable Magnetic Dirac Semimetals: Mn Doping of Cd 3 As 2

Magnetic impurities provide a route toward increasing functionality in electronic materials, often enabling new device concepts and architectures. In the case of topological semimetals, dilute magnetic doping presents a particularly attractive approach for inducing a Dirac to Weyl phase change via time reversal symmetry breaking. However, efforts to realize changes in the electronic structure have been limited by challenges in incorporating magnetic impurities into crystals with sufficiently high electron mobilities to detect them via transport or spectroscopic techniques. Here, we demonstrate incorporation of Mn into Cd 3 ⁢As 2 Dirac semimetal thin films grown by molecular beam epitaxy (MBE). Using As-rich growth conditions and [001] oriented thin films, Mn compositions of >10% are achieved. Films contain uniform distributions of Mn with no evidence of secondary phases and exhibit electron mobilities greater than 10 000–30 000 cm 2 /Vs up to 5% Mn. An evolution in the magnetization behavior along with the emergence of a second quantum oscillation frequency at low Mn concentrations provide preliminary evidence of Mn-induced changes in the electronic structure that are consistent with a Weyl phase. This work demonstrates the potential of magnetically doping topological semimetal thin films and a pathway for synthesizing them.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Visualizing Tailored Spin Phenomena in a Reduced‐Dimensional Topological Superlattice

Abstract Emergent topological insulators (TIs) and their design are in high demand for manipulating and transmitting spin information toward ultralow‐power‐consumption spintronic applications. Here, distinct topological states with tailored spin properties can be achieved in a single reduced‐dimensional TI‐superlattice, (Bi 2 /Bi 2 Se 3 )‐(Bi 2 /Bi 2 Se 3 ) N or (□/Bi 2 Se 3 )‐(Bi 2 /Bi 2 Se 3 ) N ( N is the repeating unit, □ represents an empty layer) by controlling the termination via molecular beam epitaxy. The Bi 2 ‐terminated superlattice exhibits a single Dirac cone with a spin momentum splitting ≈0.5 Å −1 , producing a pronounced inverse Edelstein effect with a coherence length up to 1.26 nm. In contrast, the Bi 2 Se 3 ‐terminated superlattice is identified as a dual TI protected by coexisting time reversal and mirror symmetries, showing an unexpectedly long spin lifetime up to 1 ns. The work elucidates the key role of dimensionality and dual topological phases in selecting desired spin properties, suggesting a promise route for engineering topological superlattices for high‐performance TI‐spintronic devices.

Sun, Rui↗
DOE OSTI2022

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS-Compatible Sputtering Technique

Breaking time-reversal symmetry by introducing magnetic order, thereby opening a gap in the topological surface state bands, is essential for realizing useful topological properties such as the quantum anomalous Hall and axion insulator states. In this work, a novel topological antiferromagnetic (AFM) phase is created at the interface of a sputtered, c-axis-oriented, topological insulator/ferromagnet heterostructure—Bi 2 Te 3 /Ni 80 Fe 20 because of diffusion of Ni in Bi 2 Te 3 (Ni-Bi 2 Te 3 ). The AFM property of the Ni-Bi2Te3 interfacial layer is established by observation of spontaneous exchange bias in the magnetic hysteresis loop and compensated moments in the depth profile of the magnetization using polarized neutron reflectometry. Analysis of the structural and chemical properties of the Ni-Bi2Te3 layer is carried out using selected-area electron diffraction, electron energy loss spectroscopy, and X-ray photoelectron spectroscopy. These studies, in parallel with first-principles calculations, indicate a solid-state chemical reaction that leads to the formation of Ni=Te bonds and the presence of topological antiferromagnetic (AFM) compound NiBi 2 Te 4 in the Ni-Bi 2 Te 3 interface layer. The Neél temperature of the Ni-Bi 2 Te 3 layer is ≈ 63 K, which is higher than that of typical magnetic topological insulators (MTIs). The presented results provide a pathway toward industrial complementary metal-oxide-semiconductor (CMOS)-process-compatible sputtered-MTI heterostructures, leading to novel materials for topological quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Topological Crystalline Insulator Candidate ErAsS with Hourglass Fermion and Magnetic-Tuned Topological Phase Transition

Topological crystalline insulators (TCIs) with hourglass fermion surface state have attracted a lot of attention and are further enriched by crystalline symmetries and magnetic order. Here, the emergence of hourglass fermion surface state and exotic phases in the newly discovered, air-stable ErAsS single crystals are shown. In the paramagnetic phase, ErAsS is expected to be a TCI with hourglass fermion surface state protected by the nonsymmorphic symmetry. Dirac-cone-like bands and nearly linear dispersions in large energy range are experimentally observed, consistent well with theoretical calculations. Below T N ≈ 3.27 K, ErAsS enters a collinear antiferromagnetic state, which is a trivial insulator breaking the time-reversal symmetry. An intermediate incommensurate magnetic state appears in a narrow temperature range (3.27–3.65 K), exhibiting an abrupt change in magnetic coupling. Overall, the results reveal that ErAsS is an experimentally available TCI candidate and provide a unique platform to understand the formation of hourglass fermion surface state and explore magnetic-tuned topological phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum Sensing and Imaging of Spin–Orbit-Torque-Driven Spin Dynamics in the Non-Collinear Antiferromagnet Mn 3 Sn

Novel non-collinear antiferromagnets with spontaneous time-reversal symmetry breaking, non-trivial band topology, and unconventional transport properties have received immense research interest over the past decade due to their rich physics and enormous promise in technological applications. One of the central focuses in this emerging field is exploring the relationship between the microscopic magnetic structure and exotic material properties. Nanoscale imaging of both spin–orbit-torque-induced deterministic magnetic switching and chiral spin rotation in non-collinear antiferromagnet Mn 3 Sn films using nitrogen-vacancy (NV) centers are reported. Direct evidence of the off-resonance dipole–dipole coupling between the spin dynamics in Mn 3 Sn and proximate NV centers is also demonstrated by NV relaxometry measurements. These results demonstrate the unique capabilities of NV centers in accessing the local information of the magnetic order and dynamics in these emergent quantum materials and suggest new opportunities for investigating the interplay between topology and magnetism in a broad range of topological magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

UOTe: Kondo‐Interacting Topological Antiferromagnet in a Van der Waals Lattice

Since the initial discovery of 2D van der Waals (vdW) materials, significant effort has been made to incorporate the three properties of magnetism, band structure topology, and strong electron correlations—to leverage emergent quantum phenomena and expand their potential applications. However, the discovery of a single vdW material that intrinsically hosts all three ingredients has remained an outstanding challenge. Here, in this work, the discovery of a Kondo-interacting topological antiferromagnet is reported in the vdW 5f electron system UOTe. It has a high antiferromagnetic (AFM) transition temperature of 150 K, with a unique AFM configuration that breaks the combined parity and time reversal (PT) symmetry in an even number of layers while maintaining zero net magnetic moment. This angle-resolved photoemission spectroscopy (ARPES) measurements reveal Dirac bands near the Fermi level, which combined with the theoretical calculations demonstrate UOTe as an AFM Dirac semimetal. Within the AFM order, the presence of the Kondo interaction is observed, as evidenced by the emergence of a 5ƒ flat band near the Fermi level below 100 K and hybridization between the Kondo band and the Dirac band. The density functional theory calculations in its bilayer form predict UOTe as a rare example of a fully-compensated AFM Chern insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Uniaxial Strain Tuned Magnetism of the Altermagnet Candidate H-FeS

Altermagnets are a newly recognized class of magnetic materials characterized by compensated spin configurations while still breaking time-reversal symmetry and exhibiting unconventional transport phenomena. Hexagonal FeS (h-FeS) is a recently identified altermagnet candidate that shows a spontaneous anomalous Hall effect (AHE) accompanied by a tiny net magnetization. Here, we show that both the spontaneous AHE and magnetization can be effectively suppressed by an in-plane compressive strain. Since neutron diffraction measurements show that the applied uniaxial strain only modifies the in-plane domain population but does not affect the in-plane magnetic structure, the major effect of the applied strain is to tune the small 𝑐-axis ferromagnetic moment. Our results demonstrate a strong correlation between the tiny net magnetization and the spontaneous AHE in h-FeS, and show that uniaxial strain provides an effective knob to tune both properties in this altermagnet candidate for spintronic applications.

Yao, Weiliang [ORNL]↗