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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Combined molecular and spin dynamics simulation of bcc iron with lattice vacancies

By using an atomistic model that treats both translational and spin degrees of freedom, we have performed combined molecular and spin dynamics simulations to study dynamic properties of BCC iron with varying vacancy concentrations. Atomic interactions are described by an empirical many-body potential while spin interactions are handled with a Heisenberg-like Hamiltonian with a coordinate dependent exchange interaction. By calculating the Fourier transform of spatial and temporal correlation functions, vibrational and magnetic excitations have been studied. The creation of vacancies in the material has shown splitting of the characteristic transverse spin-wave excitations, indicating the production of additional excitation modes. By merging two vacancies to form a nearest neighbor pair, we find that these modes become more distinct. Investigation of longitudinal spin-wave excitations reveals interactions between constituent components of the split transverse excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

IMF–METALLICITY: A TIGHT LOCAL RELATION REVEALED BY THE CALIFA SURVEY

Variations in the stellar initial mass function (IMF) have been invoked to explain the spectroscopic and dynamical properties of early-type galaxies (ETGs). However, no observations have yet been able to disentangle the physical driver. We analyze here a sample of 24 ETGs drawn from the CALIFA survey, deriving in a homogeneous way their stellar population and kinematic properties. We find that the local IMF is tightly related to the local metallicity, becoming more bottom-heavy toward metal-rich populations. Our result, combined with the galaxy mass–metallicity relation, naturally explains previous claims of a galaxy mass–IMF relation, derived from non-IFU spectra. If we assume that—within the star formation environment of ETGs—metallicity is the main driver of IMF variations, a significant revision of the interpretation of galaxy evolution observables is necessary.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A CIRCULAR-RIBBON SOLAR FLARE FOLLOWING AN ASYMMETRIC FILAMENT ERUPTION

The dynamic properties of flare ribbons and the often associated filament eruptions can provide crucial information on the flaring coronal magnetic field. This Letter analyzes the GOES-class X1.0 flare on 2014 March 29 (SOL2014-03-29T17:48), in which we found an asymmetric eruption of a sigmoidal filament and an ensuing circular flare ribbon. Initially both EUV images and a preflare nonlinear force-free field model show that the filament is embedded in magnetic fields with a fan-spine-like structure. In the first phase, which is defined by a weak but still increasing X-ray emission, the western portion of the sigmoidal filament arches upward and then remains quasi-static for about five minutes. The western fan-like and the outer spine-like fields display an ascending motion, and several associated ribbons begin to brighten. Also found is a bright EUV flow that streams down along the eastern fan-like field. In the second phase that includes the main peak of hard X-ray (HXR) emission, the filament erupts, leaving behind two major HXR sources formed around its central dip portion and a circular ribbon brightened sequentially. The expanding western fan-like field interacts intensively with the outer spine-like field, as clearly seen in running difference EUV images. We discuss these observations in favor of a scenario where the asymmetric eruption of the sigmoidal filament is initiated due to an MHD instability and further facilitated by reconnection at a quasi-null in corona; the latter is in turn enhanced by the filament eruption and subsequently produces the circular flare ribbon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

MaNGA DynPop – II. Global stellar population, gradients, and star-formation histories from integral-field spectroscopy of 10K galaxies: link with galaxy rotation, shape, and total-density gradients

ABSTRACT This is the second paper of the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) Dynamics and stellar Population (DynPop) series, which analyses the global stellar population, radial gradients, and non-parametric star-formation history of ∼10K galaxies from the MaNGA Survey final data release 17 and relates them with dynamical properties of galaxies. We confirm the correlation between the stellar population properties and the stellar velocity dispersion σe, but also find that younger galaxies are more metal-poor at fixed σe. Stellar age, metallicity, and mass-to-light ratio (M*/L) all decrease with increasing galaxy rotation, while their radial gradients become more negative (i.e. lower value at the outskirts). The exception is the slow rotators, which also appear to have significantly negative metallicity gradients, confirming the mass–metallicity gradient correlation. Massive disc galaxies in the green valley, on the $(\sigma _{\rm e},\rm age)$ plane, show the most negative age and metallicity gradients, consistent with their old central bulges surrounded by young star-forming discs and metal-poor gas accretion. Galaxies with high σe, steep total mass-density slope, low dark matter fraction, high M*/L, and high metallicity have the highest star-formation rate at earlier times, and are currently quenched. We also discover a population of low-mass star-forming galaxies with low rotation but physically distinct from the massive slow rotators. A catalogue of these stellar population properties is provided publicly.

Astronomy & Astrophysics↗
DOE OSTI2024

Structural complexity of snapshots of two-dimensional Fermi-Hubbard systems

The development of quantum gas microscopy for two-dimensional optical lattices has provided an unparalleled tool to study the Fermi-Hubbard model (FHM) with ultracold atoms. Spin-resolved projective measurements, or snapshots, have played a significant role in quantifying correlation functions, theory verification, and thus the uncovering of underlying physical phenomena such as antiferromagnetism at commensurate filling on bipartite lattices and other charge and spin correlations, as well as dynamical properties at various densities. Here we employ a recent concept, the multiscale structural complexity, and show that when computed for the snapshots (of single spin species, local moments, or total density) it can provide a theory-free property, immediately accessible to experiments. Specifically, after benchmarking results for Ising and $XY$ models, we study the structural complexity of snapshots of the repulsive FHM in the two-dimensional square lattice as a function of doping and temperature. We generate projective measurements using determinant quantum Monte Carlo and compare their complexities against those from the experiment. We demonstrate that these complexities are linked to relevant physical observables such as the entropy and double occupancy. Their behaviors capture the development of correlations and relevant length scales in the system. Furthermore, we provide an open-source code in python which can be implemented into data analysis routines in experimental settings for the square lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum Computer-Aided Design: Digital Quantum Simulation of Quantum Processors

With the increasing size of quantum processors, submodules that constitute the processor hardware will become too large to accurately simulate on a classical computer. Therefore, one would soon have to fabricate and test each new design primitive and parameter choice in time-consuming coordination between design, fabrication, and experimental validation. Here we show how one can design and test the performance of next-generation quantum hardware—by using existing quantum computers. Focusing on superconducting transmon processors as a prominent hardware platform, we compute the static and dynamic properties of individual and coupled transmons. We show how the energy spectra of transmons can be obtained by variational hybrid quantum-classical algorithms that are well suited for near-term noisy quantum computers. In addition, single- and two-qubit gate simulations are demonstrated via Suzuki-Trotter decomposition. Our methods pave a promising way towards designing candidate quantum processors when the demands of calculating submodule properties exceed the capabilities of classical computing resources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Raman Wavelength Conversion in Ionic Liquids

Here, we explore the use of room-temperature ionic liquids (ILs) as Raman wavelength converters. ILs provide an engineerable framework to design suitable liquids for wavelength conversion over a broad spectral range, through careful selection of the molecular structures of the IL anions and cations so that specific characteristics can be obtained, such as a desirable Raman shift, low Brillouin scattering, and good optical transmission in the pump and Stokes wavelengths. Applying such criteria, we demonstrate that 1-ethyl-3-methylimidazolium dicyanamide (EMIM DCA) is an effective medium for conversion of 532-nm pulses from a Q-switched Nd :YAG laser to 603 nm. This corresponds to an approximate 2200 cm –1 shift, which can be used to generate mid-infrared radiation through subsequent difference frequency generation for optical pumping of CO 2 lasers. Threefold-higher Raman conversion efficiency is obtained in EMIM DCA compared with water under identical conditions in a proof-of-principle single-pass conversion setup, resulting in an efficient generation of multimillijoule, <6 ns duration, high-quality orange laser pulses in a wavelength region that is difficult to access at high energies. Consequently, we examine ILs representing two other classes of Raman-active functional groups and obtain conversion up to the fifth-order Stokes shift and first anti-Stokes shift. Through the tunable selection of their components and their useful dynamical properties, ILs provide a platform for efficient, simple, and alignment-tolerant high-energy Raman shifting with numerous industrial and technological applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Antiferromagnetic domain switching modulated by an ultrathin Co interlayer in the Fe/Co/CoO/MgO(001) system

Using a combination of hysteresis loop, Kerr microscope, and x-ray magnetic circular dichroism measurements, in this study we investigated the antiferromagnetic (AFM) domain switching process modulated by the sub-nm thick Co inserting layer in a single crystalline Fe/Co/CoO/MgO(001). The CoO AFM domain switching occurs at lower temperature for the thicker Co interlayer, and the activation energy barrier of CoO AFM domain switching decreases as the Co interlayer thickness increases. The exchange coupling strength between the AFM spins in CoO layer and the ferromagnetic spins in the Fe/Co bilayer is found to be independent of the Co layer thickness. Our results suggest an approach to modulate the dynamic properties of AFM domains with an interfacial modification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Dynamics of quantum Hall interfaces

A quantum Hall (QH) interface is different from an ordinary QH edge, as the latter has its location determined by the confining potential, while the former can be unpinned and behave like a free string. In this paper, we demonstrate this difference by studying three different interfaces formed by (i) the Laughlin state and the vacuum, (ii) the Pfaffian state and the vacuum, and (iii) the Pfaffian and the anti-Pfaffian states. We find that stringlike interfaces propagating freely in the QH system lead to very different dynamical properties from edges. This qualitative difference gives rise to fascinating physics and suggests a different direction for future research on QH physics. We also discuss briefly possible analogies between QH interfaces and concepts in string theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Evolution of short-range magnetic correlations in ferromagnetic Ni-V alloys

Here we experimentally study how the magnetic correlations develop in a binary alloy close to the ferromagnetic quantum critical point with small-angle neutron scattering (SANS). Upon alloying the itinerant ferromagnet nickel with vanadium, the ferromagnetic order is continuously suppressed. The critical temperature T c vanishes when vanadium concentrations reach the critical value of x c =0.116 indicating a quantum critical point separating the ferromagnetic and paramagnetic phases. Earlier magnetization and μ⁢SR data have indicated the presence of magnetic inhomogeneities in Ni 1-x ⁢V x and, in particular, recognize the magnetic clusters close to x c , on the paramagnetic and on the ferromagnetic sides with nontrivial dynamical properties [R. Wang et al., Phys. Rev. Lett. 118, 267202 (2017)]. We present the results of SANS study with full polarization analysis of polycrystalline Ni 1-x⁢ V x samples with x=0.10 and x=0.11 with low critical temperatures T c <50 K. For both Ni-V samples close to x c we find isotropic magnetic short-range correlations on the nanometer scale persisting at low temperatures. They are suppressed gradually in higher magnetic fields. In addition, signatures of long-range ordered magnetic domains are present below T c . The fraction of these magnetic clusters embedded in the ferromagnetic ordered phase grows toward x c and agrees well with the cluster fraction estimate from the magnetization and μ⁢SR data. Our SANS studies provide new insights into the nature of the inhomogeneities in a ferromagnetic alloy close to a quantum critical point.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electronic structure and lattice dynamics of 1⁢𝑇−VSe 2 : Origin of the three-dimensional charge density wave

To characterize in detail the charge density wave (CDW) transition of 1⁢𝑇−VSe 2 , its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering, and state-of-the-art first-principles density functional theory calculations. Resonant elastic x-ray scattering does not show any resonant enhancement at either V or Se, indicating that the CDW peak at the 𝐾 edges describes a purely structural modulation of the electronic ordering. ARPES experiments identify (i) a pseudogap at 𝑇 > 𝑇⁢ CDW , which leads to a depletion of the density of states in the ML-M'L' plane at 𝑇 < 𝑇⁢ CDW , and (ii) anomalies in the electronic dispersion reflecting a sizable impact of phonons on it. A diffuse scattering precursor, characteristic of soft phonons, is observed at room temperature (RT) and leads to the full collapse of the low-energy phonon (𝜔 1 ) with propagation vector (0.25 0 −0.3) r.l.u. Here, we show that the frequency and linewidth of this mode are anisotropic in momentum space, reflecting the momentum dependence of the electron-phonon interaction (EPI), hence demonstrating that the origin of the CDW is, to a much larger extent, due to the momentum dependent EPI with a small contribution from nesting. The pressure dependence of the 𝜔 1 soft mode remains nearly constant up to 13 GPa at RT, with only a modest softening before the transition to the high-pressure monoclinic C2/m phase. The wide set of experimental data is well captured by our state-of-the art first-principles anharmonic calculations with the inclusion of van der Waals corrections in the exchange-correlation functional. The comprehensive description of the electronic and dynamical properties of VSe 2 reported here adds important pieces of information to the understanding of the electronic modulations in the family of transition-metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Theory of nonlinear terahertz susceptibility in ferroelectrics

An analytical theory is developed for predicting the nonlinear susceptibility of ionic polarization to continuous electromagnetic waves in both bulk and strained thin film ferroelectrics. Using a perturbation method for solving the nonlinear equation of motion for ionic polarization within the framework of Landau-Ginzburg-Devonshire theory, the full second-order nonlinear susceptibility tensor is derived as a function of frequency, temperature, and strain. Here, the theory predicts the coexistence of a significantly enhanced second-order dielectric susceptibility and a relatively low dielectric loss in BaTiO 3 films with a strain-stabilized monoclinic ferroelectric phase and in a strained SrTiO 3 film near its temperature-driven second-order ferroelectric-to-paraelectric phase transition. In this paper, we establish a theoretical framework for predicting and exploiting nonlinear interactions between terahertz waves and ferroelectric materials and, more generally, suggest exciting opportunities to strain-engineer nonlinear dynamical properties of ferroelectrics beyond the static and quasistatic limits.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Phonons and electron-phonon coupling in YNi 2 B 2 C

We present a combined density functional perturbation theory and inelastic neutron scattering study of the lattice dynamical properties of YNi 2 B 2 C. In general, very good agreement was found between theory and experiment for both phonon energies and line widths. Our analysis reveals that the strong coupling of certain low energy modes is linked to the presence of large displacements of the light atoms, i.e., B and C, which is unusual in view of the rather low phonon energies. Specific modes exhibiting a strong coupling to the electronic quasiparticles were investigated as a function of temperature. Their energies and line widths showed marked changes on cooling from room temperature to just above the superconducting transition at T c = 15.2 K. Calculations simulating the effects of temperature allow us to model the observed temperature dependence qualitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ginzburg-Landau theory for skyrmions in inversion-symmetric magnets with competing interactions

Magnetic skyrmions have attracted considerable attention recently for their huge potential in spintronic applications. Generally skyrmions are big compared to the atomic lattice constant, which allows for the Ginzburg-Landau type description in the continuum limit. This description successfully captures the main experimental observations on skyrmions in B20 compound without inversion symmetry. Skyrmions can also exist in inversion-symmetric magnets with competing interactions. Here, we derive a general Ginzburg-Landau theory for skyrmions in these magnets valid in the long-wavelength limit. We study the unusual static and dynamical properties of skyrmions based on the derived Ginzburg-Landau theory. We show that an easy axis spin anisotropy is sufficient to stabilize a skyrmion lattice. Interestingly, the skyrmion in inversion-symmetric magnets has a new internal degree of freedom associated with the rotation of helicity, i.e., the “spin” of the skyrmion as a particle, in addition to the usual translational motion of skyrmions (orbital motion). The orbital and spin degree of freedoms of an individual skyrmion can couple to each other, and give rise to unusual behavior that is absent for the skyrmions stabilized by the Dzyaloshinskii-Moriya interaction. Finally, the derived Ginzburg-Landau theory provides a convenient and general framework to discuss skyrmion physics and will facilitate the search for skyrmions in inversion-symmetric magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Superconductivity and hybrid soft modes in Ti Se 2

The interplay between superconductivity and charge-density-wave (CDW) order plays a central role in the layered transition-metal dichalcogenides. 1 T -TiSe 2 forms a prime example, featuring superconducting domes on intercalation as well as under applied pressure. Here, we present high energy-resolution inelastic x-ray scattering measurements of the CDW soft phonon mode in intercalated Cu x TiSe 2 and pressurized 1 T -TiSe 2 along with detailed ab-initio calculations for the lattice dynamical properties and phonon-mediated superconductivity. We find that the intercalation-induced superconductivity can be explained by a solely phonon-mediated pairing mechanism, while this is not possible for the superconducting phase under pressure. We argue that a hybridization of phonon and exciton modes in the pairing mechanism is necessary to explain the full observed temperature-pressure-intercalation phase diagram. Finally, these results indicate that 1 T -TiSe 2 under pressure is close to the elusive state of the excitonic insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Thermal fluctuations of the Josephson current in a ring of superconducting grains

Thermal fluctuations of the Josephson current induced by the magnetic flux through a ring of N superconducting grains are studied. When a half-fluxon is threading the ring, I exhibits incoherent transitions between the two degenerate states due to thermal phase slips. In this study, we propose a numerical method to deal with both equilibrium and dynamic properties of Josephson systems. Computed transition rate has the form Γ = A(N) exp[-B(N)/T ], where B(N) agrees with the analytical result derived for the energy barrier associated with phase slips. In the nondegenerate case (e.g., at a quarter-fluxon) the equilibrium value of I decreases with T due to harmonic excitations and then gets destroyed by phase slips.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Gapped excitation in dense Kondo lattice CePtZn

In this work, we report on neutron scattering and muon spin relaxation measurements of dense Kondo lattice CePtZn. The system develops long-range incommensurate magnetic order as the temperature is reduced below TN=1.75 K. Interestingly, a Q-independent gap at E=0.65 meV in the energy spectrum is found to co-exist with the long-range magnetic order. The gap persists to a very high temperature of T≃100 K. The Q-independent characteristic and its persistence to high temperature hint that the gapped excitation may be manifesting the excited state of the ground-state doublet of the crystal-field energy levels. However, the observed broadness in the linewidth with distinct temperature and field dependencies makes it a nontrivial phenomenon. Qualitative analysis of the experimental data suggests the possible co-existence of a local critical behavior, which is onset near the critical field of H≃3 T, with the crystal-field excitation in the dynamic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Vortex creep at very low temperatures in single crystals of the extreme type-II Rh 9 In 4 S 4

Here, we image vortex creep at very low temperatures using scanning tunneling microscopy in the superconductor Rh 9 In 4 S 4 (T c = 2.25 K). We measure the superconducting gap of Rh 9 In 4 S 4 , finding Δ ≈ 0.33 meV, and image a hexagonal vortex lattice up to close to H c2 observing slow vortex creep at temperatures as low as 150 mK. We estimate thermal and quantum barriers for vortex motion and show that thermal fluctuations likely cause vortex creep, in spite of being at temperatures T/T c < 0.1. We study creeping vortex lattices by making images during long times and show that the vortex lattice remains hexagonal during creep with vortices moving along one of the high-symmetry axes of the vortex lattice. Furthermore, the creep velocity changes with the scanning window suggesting that creep depends on the local arrangements of pinning centers. Vortices fluctuate on small-scale erratic paths, indicating that the vortex lattice makes jumps trying different arrangements during its travel along the main direction for creep. Lastly, the images provide a visual account of how vortex lattice motion maintains hexagonal order, while showing dynamic properties characteristic of a glass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗