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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nuclear spin features relevant to ab initio nucleon-nucleus elastic scattering

Effective interactions for elastic nucleon-nucleus scattering from first principles require the use of the same nucleon-nucleon interaction in the structure and reaction calculations, as well as a consistent treatment of the relevant operators at each order. Previous work using these interactions has shown good agreement with available data. Here, we study the physical relevance of one of these operators, which involves the spin of the struck nucleon, and examine the interpretation of this quantity in a nuclear structure context. Using the framework of the spectator expansion and the underlying framework of the no-core shell model, we calculate and examine spin-projected, one-body momentum distributions required for effective nucleon-nucleus interactions in $J=0$ nuclear states. The calculated spin-projected, one-body momentum distributions for $^4$He, $^6$He, and $^8$He display characteristic behavior based on the occupation of protons and neutrons in single particle levels, with more nucleons of one type yielding momentum distributions with larger values. Additionally, we find this quantity is strongly correlated to the magnetic moment of the $2^+$ excited state in the ground state rotational band for each nucleus considered. In conclusion, we find that spin-projected, one-body momentum distributions can probe the spin content of a $J=0$ wave function. This feature may allow future ab initio nucleon-nucleus scattering studies to inform spin properties of the underlying nucleon-nucleon interactions. The observed correlation to the magnetic moment of excited states illustrates a previously unknown connection between reaction observables such as the analyzing power and structure observables like the magnetic moment.

6 ≤ A ≤ 19↗
DOE OSTI2023

Majorana bound states in a d -wave superconductor planar Josephson junction

We study phase-controlled planar Josephson junctions comprising a two-dimensional electron gas with strong spin-orbit coupling and d-wave superconductors, which have an advantage of a high critical temperature. We show that a region between the two superconductors can be tuned into a topological state by the in-plane Zeeman field, and can host Majorana bound states. The phase diagram as a function of the Zeeman field, chemical potential, and the phase difference between superconductors exhibits the appearance of Majorana bound states for a wide range of parameters. We further investigate the behavior of the topological gap and its dependence on the type of d-wave pairing, i.e., d, d+is, or d+id', and note the difficulties that can arise due to the presence of gapless excitations in pure d-wave superconductors. On the other hand, the planar Josephson junctions based on superconductors with d+is and d+id' pairings can potentially lead to realizations of Majorana bound states. Furthermore, our proposal can be realized in cuprate superconductors, e.g., in a twisted bilayer, combined with the layered semiconductor Bi 2 O 2 Se.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Signatures of enhanced spin-triplet superconductivity induced by interfacial properties

While spin-triplet pairing remains elusive in nature, there is a growing effort to realize proximity-induced equal-spin triplet superconductivity in junctions with magnetic regions or an applied magnetic field and common s-wave superconductors. To enhance such spin-triplet contribution, it is expected that junctions with a weak interfacial barrier and strong spin-orbit coupling are desirable. Intuitively, a weak interfacial barrier enables a robust proximity-induced superconductivity and strong spin-orbit coupling promotes spin mixing, converting spin-singlet into spin-triplet superconductivity. In contrast, we reveal a nonmonotonic spin-triplet contribution with the strength of the interfacial barrier and spin-orbit coupling. This picture is established by considering different signatures in conductance and superconducting correlations, as well as by performing self-consistent calculations. As a result, we identify a strongly enhanced spin-triplet superconductivity, realized for an intermediate strength of interfacial barrier and spin-orbit coupling. In junctions with magnetic regions, an enhanced spin-triplet superconductivity leads to a large magnetoanisotropy of conductance and superconducting correlations. Furthermore, this picture of an enhanced spin-triplet superconductivity is consistent with experiments demonstrating a huge increase in the conductance magnetoanisotropy, which we predict can be further enhanced at a finite bias.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Incommensurate Spin Fluctuations in the Spin-Triplet Superconductor Candidate UTe 2

Spin-triplet superconductors are of extensive current interest because they can host topological state and Majorana fermions important for quantum computation. The uranium-based heavy-fermion superconductor UTe 2 has been argued as a spin-triplet superconductor similar to UGe2, URhGe, and UCoGe, where the superconducting phase is near (or coexists with) a ferromagnetic (FM) instability and spin-triplet electron pairing is driven by FM spin fluctuations. Here we use neutron scattering to show that, although UTe 2 exhibits no static magnetic order down to 0.3 K, its magnetism in the [0,K,L] plane is dominated by incommensurate spin fluctuations near an antiferromagnetic ordering wave vector and extends to at least 2.6 meV. We are able to understand the dominant incommensurate spin fluctuations of UTe 2 in terms of its electronic structure calculated using a combined density-functional and dynamic mean-field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Simulating Meson Scattering on Spin Quantum Simulators

Studying high-energy collisions of composite particles, such as hadrons and nuclei, is an outstanding goal for quantum simulators. However, preparation of hadronic wave packets has posed a significant challenge, due to the complexity of hadrons and the precise structure of wave packets. This has limited demonstrations of hadron scattering on quantum simulators to date. Observations of confinement and composite excitations in quantum spin systems have opened up the possibility to explore scattering dynamics in spin models. In this article, we develop two methods to create entangled spin states corresponding to wave packets of composite particles in analog quantum simulators of Ising spin Hamiltonians. One wave-packet preparation method uses the blockade effect enabled by beyond-nearest-neighbor Ising spin interactions. The other method utilizes a quantum-bus-mediated exchange, such as the native spin-phonon coupling in trapped-ion arrays. With a focus on trapped-ion simulators, we numerically benchmark both methods and show that high-fidelity wave packets can be achieved in near-term experiments. We numerically study scattering of wave packets for experimentally realizable parameters in the Ising model and find inelastic-scattering regimes, corresponding to particle production in the scattering event, with prominent and distinct experimental signals. Our proposal, therefore, demonstrates the potential of observing inelastic scattering in near-term quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2018

Learning Model Structural Uncertainty with Gaussian Processes

The advent of commercially available quantum computers has marked the beginning of quantum computing as a reality. Both quantum gate and annealing computers have been released by major computer hardware companies. In this work, the D-Wave 2XTM quantum annealing computer housed at the NASA Advanced Systems computational facility is investigated to accelerate Machine Learning (ML) for image registration. NASA collects large amounts of images over the globe remotely using space-based monitoring. Images of a fixed areas of the land surface are taken over time. Due to the orbit of the sensors, the viewing angles deviate slightly, and it is necessary to align or register the images precisely to create image time series over the land surface. Unaligned images can lead to substantial analysis errors. These time-series are then used in modeling Earth Systems models such as hydrological, weather, and carbon monitoring models. In this work, we consider the Moderate Resolution Image Spectrometer (MODIS) data collected by the NASA's terra satellite. Artificial Neural Networks (ANNs) is a natural fit for ML modelling of images. Several successes have been reported using machine learning related to image processing. We investigate the use of ML to register MODIS images. ANNs are investigated in combination with a Restricted Boltzmann Machines (RBM) as an auto-encoder. We will present results showing the accuracy and efficiency of this approach.The D-Wave 2XTM quantum annealer samples the ground-state wave-function of a spin-Ising systems with quadratic interactions between qubits and a Chimera connectivity. The system sits in a ~15 mK thermal bath. One can think of the system as being placed in the ground state initially and subject to thermal excitations governed by Boltzmann statistics. If this is assumed true, one can use the statistics from the D-Wave 2XTM to train RBMs. Generating statistics for training Boltzmann machines is an NP-hard problem and constitutes the largest compute cost. We investigate the use of the D-Wave 2XTM to accelerate the training of the RBMs in our ANNs and report on the results.

Kouatchou, Jules↗
DOE OSTI2020

Spin susceptibility, upper critical field, and disorder effect in $j = \frac{3}{2}$ superconductors with singlet–quintet mixing

Recently, a new pairing state with the mixing between the s-wave singlet channel and the isotropic d-wave quintet channel induced by centrosymmetric spin–orbit coupling has been theoretically proposed in the superconducting materials with $j = \frac{3}{2}$ electrons [J. Yu and C.-X. Liu, Phys. Rev. B 98, 104514 (2018)]. In this article, we derive the expressions of the zero-temperature spin susceptibility, the upper critical field close to the zero-field critical temperature T c , and the critical temperature with weak random non-magnetic disorders for the singlet–quintet mixed state based on the Luttinger model. Our study reveals the following features of the singlet–quintet mixing. (1) The zero-temperature spin susceptibility remains zero for the singlet–quintet mixed state if only the centrosymmetric spin–orbit coupling is taken into account and deviates from zero when the non-centrosymmetric spin–orbit coupling is introduced. (2) The singlet–quintet mixing can help enhance the upper critical field roughly because it can increase T c . (3) Although the quintet channel is generally suppressed by the non-magnetic disorder scattering, we find the strong mixing between singlet and quintet channels can help to stabilize the quintet channel. As a result, we still find a sizable quintet component mixed into the singlet channel in the presence of weak random non-magnetic disorders. Our work provides the guidance for future experiments on spin susceptibility and upper critical field of the singlet–quintet mixed superconducting states and illustrates the stability of the singlet–quintet mixing against the weak random non-magnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Radial Spin Texture of the Weyl Fermions in Chiral Tellurium

Trigonal tellurium, a small-gap semiconductor with pronounced magneto-electric and magneto-optical responses, is among the simplest realizations of a chiral crystal. We have studied by spin- and angle-resolved photoelectron spectroscopy its unconventional electronic structure and unique spin texture. We identify Kramers-Weyl, composite, and accordionlike Weyl fermions, so far only predicted by theory, and show that the spin polarization is parallel to the wave vector along the lines in k space connecting high-symmetry points. Our results clarify the symmetries that enforce such spin texture in a chiral crystal, thus bringing new insight in the formation of a spin vectorial field more complex than the previously proposed hedgehog configuration. Our findings thus pave the way to a classification scheme for these exotic spin textures and their search in chiral crystals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

One-dimensional Holstein model revisited

Here, we analyze the global ground-state (quantum) phase diagram of the one-dimensional spinful Holstein model at half filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction, U) and the phonon frequency ω 0 . In addition to reanalyzing the various asymptotic regimes, we carry out density-matrix renormalization group simulations to correct previous inferences concerning the antiadiabatic (large ω 0 ) and strong-coupling (large U) regimes. There are two distinct phases—a fully gapped commensurate charge-density-wave phase and a spin-gapped Luther-Emery phase with a gapless charge mode—separated by a phase boundary, with a shape that reflects different microscopic physics in the weak- and strong-coupling limits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Simplifying the Quantum World: Demonstrations for Young Learners in an Informal Setting

A set of modules for the informal learning of quantum science was developed. They include (1) Waves and Bottling Light in Quantum Dots, (2) Quantization of Energy Levels, (3) Particle-Wave Duality, (4) Magnetism and Electron Spin, and (5) Quantum Entanglement. Their teaching objective is to clarify concepts in quantum science, and they have been presented together as part of an hour-long show to ∼250 adults and school-age children. The learning outcomes of the modules were assessed by pre- and postevent quizzes as well as interactive clicker questions. The results suggest effective learning of all of the assessed concepts. These modules are detailed in a way that makes them deployable, together or in part, in other formal or informal settings to support the dissemination of information about quantum science to the general public.

electron spin↗
DOE OSTI2024

Quasimolecular 𝐽 tet = 3/2 Moments in the Cluster Mott Insulator GaTa 4 ⁢Se 8

Quasimolecular orbitals in cluster Mott insulators provide a route to tailor exchange interactions, which may yield novel quantum phases of matter. Here, we demonstrate the cluster Mott character of the lacunar spinel GaTa 4 Se 8 using resonant inelastic x-ray scattering (RIXS) at the Ta L 3 edge. Electrons are fully delocalized over Ta 4 tetrahedra, forming quasimolecular J tet = 3/2 moments. The modulation of the RIXS intensity as function of the transferred momentum q allows us to determine the cluster wave function, which depends on competing intracluster hopping terms that mix states with different character. This mixed wave function is decisive for the macroscopic properties since it affects intercluster hopping and exchange interactions and furthermore renormalizes the effective spin-orbit coupling constant. The versatile wave function, tunable via intracluster hopping, opens a new perspective on the large family of lacunar spinels and cluster Mott insulators in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

An analysis of whistler waves at interplanetary shocks

We present an analysis of whistler wave magnetic and electric field amplitude ratios from which we compute wave propagation angles and energies of electrons in resonance with the waves. To do this analysis, we compute the theoretical dependence of ratios of wave components on the whistler wave propagation angle Theta for various combinations of orthogonal wave components. Ratios of wave components that would be observed by a spinning spacecraft are determined, and the effects of arbitrary inclinations of the spacecraft to the ambient magnetic field and to the whistler wave vector are studied. This analysis clearly demonstrates that B/E, the ratio of magnetic to electric field amplitudes, cannot be assumed to be the wave index of refraction, contrary to assumptions of some earlier studies. Therefore previous interpretations of whistler wave observations based on this assumption must be reinvestigated. B/E ratios derived using three orthogonal wave components can be used to unambiguously determine Theta. Using spin plane observations alone, a significant uncertainty occurs in the determination of Theta. Nevertheless, for whistler waves observed downstream of several interplanetary shocks by the Ulysses plasma wave experiment we find that Theta is highly oblique. We suggest that the analysis of wave amplitude ratios used in conjunction with traditional stability analyses provide a promising tool for determining which particle distributions and resonances are likely to be dominant contributors to wave growth.

Lengyel-Frey, D.↗
NASA NTRS2008

Binary Black Hole Mergers, Gravitational Waves, and LISA

The final merger of comparable mass binary black holes is expected to be the strongest source of gravitational waves for LISA. Since these mergers take place in regions of extreme gravity, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute black hole mergers using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Within the past few years, however, this situation has changed dramatically, with a series of remarkable breakthroughs. We will present the results of new simulations of black hole mergers with unequal masses and spins, focusing on the gravitational waves emitted and the accompanying astrophysical "kicks." The magnitude of these kicks has bearing on the production and growth of supermassive black holes during the epoch of structure formation, and on the retention of black holes in stellar clusters.

Centrella, Joan↗
NASA NTRS2024

Adiabatic Gravitational Waveform Model for Compact Objects Undergoing Quasi-Circular Inspirals Into Rotating Massive Black Holes

We present bhpwave: a new python-based, open-source tool for generating the gravitational waveforms of stellar-mass compact objects undergoing quasicircular inspirals into rotating massive black holes. These binaries, known as extreme-mass-ratio inspirals (EMRIs), are exciting mHz gravitational wave sources for future space-based detectors such as the Laser Interferometer Space Antenna (LISA). Relativistic models of EMRI gravitational wave signals are necessary to unlock the full scientific potential of mHz detectors, yet few open-source EMRI waveform models exist. Thus we built bhpwave, which uses the adiabatic approximation from black hole perturbation theory to rapidly construct gravitational waveforms based on the leading-order inspiral dynamics of the binary. In this work, we present the theoretical and numerical foundations underpinning bhpwave. We also demonstrate how bhpwave can be used to assess the impact of EMRI modeling errors on LISA gravitational wave data analysis. In particular, we find that for retrograde orbits and slowly spinning black holes we can mismodel the gravitational wave phasing by as much as ∼10 radians without significantly biasing EMRI parameter estimation.

Zachary Nasipak↗
DOE OSTI2025

Fermi surface origin of the low-temperature magnetoresistance anomaly

Magnetoresistance (MR) at a fixed field can demonstrate a non-monotonic temperature dependence—an anomaly—in many systems, including low-dimensional chalcogenides, spin- and charge-density-wave metals, and topological semimetals. These systems are often low-carrier-density compensated metals, and the physics are expected to be quasi-classical. Nevertheless, the MR anomaly also exists in the highly conductive metals Cr, Mo, and W for both linear and quadratic field dependence, with their non-saturation attributed to either open orbit or electron-hole compensation. We argue that quantum transport across sharp Fermi surface arcs, but not necessarily the full cyclotron orbit, governs this MR anomaly, thereby accounting for the profound effects of disorder. In Cr, an overlay exists between three temperature dependences: MR at a constant high field, linear MR at a low field, and Shubnikov-de Haas (SdH) oscillations of the smallest orbit. In Mo, the MR anomaly extends beyond the temperature of its SdH oscillations but disappears before Kohler’s scaling reemerges.

Feng, Yejun [Okinawa Institute of Science and Tech↗
DOE OSTI2022

Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F)

Dynamical electron correlation has a major impact on the computed values of molecular properties and the energetics of molecular processes. This study focused on the effect of dynamical electron correlation on the spectroscopic constants ($R$ e , $ω$ e , $D$ e ), and potential energy curves, Δ$E$($R$), of the covalently bound AH and AF molecules, A = B–F. The changes in the spectroscopic constants (Δ$R$ e , Δ$ω$ e , Δ$D$ e ) caused by dynamical correlation are erratic and, at times, even surprising. These changes can be understood based on the dependence of the dynamical electron correlation energies of the AH and AF molecules as a function of the bond distance, i.e., Δ$E$ DEC ($R$). At large $R$, the magnitude of Δ$E$ DEC ($R$) increases nearly exponentially with decreasing $R$, but this increase slows as $R$ continues to decrease and, in many cases, even reverses at very short $R$. The changes in Δ$E$ DEC ($R$) in the region around $R$ e were as unexpected as they were surprising, e.g., distinct minima and maxima were found in the curves of Δ$E$ DEC ($R$) for the most polar molecules. The variations in Δ$E$ DEC ($R$) for $R$ ≲ $R$ e are directly correlated with major changes in the electronic structure of the molecules as revealed by a detailed analysis of the spin-coupled generalized valence bond wave function. In conclusion, the results reported here indicate that we have much to learn about the nature of dynamical electron correlation and its effect on chemical bonds and molecular properties and processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets

The recent experimental confirmation of a transformation between meron and skyrmion topological spin textures in the chiral magnet Co 8 Zn 9 Mn 3 confirms that the skyrmion crystals discovered in 2009 are just the tip of the iceberg. Crystals of topological textures, including skyrmions, merons, vortices, and monopoles, can be stabilized by combining simple physical ingredients, such as lattice symmetry, frustration, and spin anisotropy. The current challenge is to find the combinations of these ingredients that produce specific topological spin textures. In this work, we report a simple mechanism for the stabilization of meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets. In particular, the meron/skyrmion crystals can form even in absence of magnetic field. The application of magnetic field leads to a rich variety of topological spin textures that survive in the long wavelength limit of the theory. When conduction electrons are coupled to the spins, these topological spin textures twist the electronic wave functions to induce Chern insulators and Weyl semimetals for specific band filling fractions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗