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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

High Thermoelectric Power Factor and Efficiency from a Highly Dispersive Band in Ba 2 BiAu

With first-principles calculations based on density-functional theory, we predict the potential for the unprecedentedly high thermoelectric figure of merit zT = 5 at 800 K in an n-type Ba 2 BiAu full-Heusler compound. Such a high efficiency arises from an intrinsically ultralow lattice thermal conductivity coupled with a very high power factor reaching 7 mW m –1 K –2 at 500 K. The high n-type power factor originates from a light, sixfold degenerate conduction-band pocket along the Γ-X direction. Weak acoustic phonon scattering and sixfold multiplicity combine to yield both high mobility and a high Seebeck coefficient. In contrast, the flat-and-dispersive (or low-dimensional) valence band of Ba 2 BiAu fails to generate such high power factors due to strong acoustic phonon scattering. We note the Lorenz numbers at optimal doping are smaller than theWiedemann-Franz value, an integral feature for zT enhancement as electrons are the majority heat carriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Integer quantum Hall effect and enhanced g factor in quantum-confined Cd 3 As 2 films

Here, we investigate the integer quantum Hall effect in Cd 3 ⁢As 2 thin films under conditions of strong to moderate quantum confinement (thicknesses of 10, 12, and 15 nm). In all the films, we observe the integer quantum Hall effect in the spin-polarized lowest Landau level (filling factor v = 1) and at spin-degenerate higher index Landau levels with even filling factors (v = 2,4,6). With increasing quantum confinement, we also observe a lifting of the Landau-level spin degeneracy at v = 3, manifest as the emergence of an anomaly in the longitudinal and Hall resistivities. Tight-binding calculations show that the enhanced g factor likely arises from a combination of quantum confinement and corrections from nearby subbands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Covariant spectator theory of n p scattering: Deuteron form factors

The deuteron form factors are calculated using two model wave functions obtained from the 2007 CST high precision fits to $np$ scattering data. Included in the calculation are a new class of isoscalar $np$ interaction currents which are automatically generated by the nuclear force model used in these fits. If the nuclear model WJC2 is used, a precision fit ($\chi^2$/datum $\eqsim1$) to the Sick Global Analysis (GA) of all $ed$ elastic scattering data can be obtained by adjusting the unknown off-shell nucleon form factors $F_3(Q^2)$ (discussed before) and $F_4(Q^2)$ (introduced in this paper), and predicting the high $Q^2$ behavior of the neutron charge form factor $G_{En}(Q^2)$ well beyond the region where it has been measured directly. Relativistic corrections, isoscalar interaction currents, and off-shell effects are defined, discussed, and their size displayed. A rationale for extending $ed$ elastic scattering measurements to higher $Q^2$ is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Axial and pseudoscalar form factors from charged current quasielastic neutrino-nucleon scattering

We study the scattering of neutrinos on polarized and unpolarized free nucleons, and also the polarization of recoil particles in these scatters. In contrast to electromagnetic processes, the parity-violating weak interaction gives rise to large spin asymmetries at leading order. Future polarization measurements could provide independent access to the proton axial structure and allow the first extraction of the pseudoscalar form factor from neutrino data without the conventional partially conserved axial current (PCAC) ansatz and assumptions about the pion-pole dominance. The pseudoscalar form factor can be accessed with precise measurements with muon (anti)neutrinos of a few hundreds MeV of energy or with tau (anti)neutrinos. The axial form factor can be extracted from scattering measurements using accelerator neutrinos of all energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Quenching factor measurements of neon nuclei in neon gas

The NEWS-G collaboration uses spherical proportional counters (SPCs) to search for weakly interacting massive particles (WIMPs). Here, in this paper, we report the first measurements of the nuclear quenching factor in neon gas at 2 bar using an SPC deployed in a neutron beam at the TUNL facility. The energy-dependence of the nuclear quenching factor is modeled using a simple power law: $αE^{β}_{nr}$; we determine its parameters by simultaneously fitting the data collected with the detector over a range of energies. We measured the following parameters in Ne : CH 4 at 2 bar: α= 0.2801±0.0050 (fit) ±0.0045 (sys) and β=0.0867±0.020 (fit) ±0.006 (sys). Our measurements do not agree with expected values from SRIM or Lindhard theory. We demonstrated the feasibility of performing quenching factor measurements at sub-keV energies in gases using SPCs and a neutron beam.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Nucleon axial and pseudoscalar form factors using twisted-mass fermion ensembles at the physical point

We compute the nucleon axial and pseudoscalar form factors using three N f = 2 + 1 + 1 twisted-mass fermion ensembles with all quark masses tuned to approximately their physical values. The values of the lattice spacings of these three physical point ensembles are 0.080, 0.068, and 0.057 fm and spatial sizes 5.1, 5.44, and 5.47 fm, respectively, yielding m π L > 3.6 . Convergence to the ground-state matrix elements is assessed using multistate fits. We study the momentum dependence of the three form factors and check the partially conserved axial-vector current (PCAC) hypothesis and the pion pole dominance (PPD). We show that in the continuum limit, the PCAC and PPD relations are satisfied. We also show that the Goldberger-Treimann relation is approximately fulfilled and determine the Goldberger-Treiman discrepancy. Our final results are g A = 1.245 ( 28 ) ( 14 ) for the nucleon axial charge, ⟨ r A 2 ⟩ = 0.339 ( 48 ) ( 06 ) fm 2 for the axial radius, g π N N ≡ lim Q 2 → − m π 2 G π N N ( Q 2 ) = 13.25 ( 67 ) ( 69 ) for the pion-nucleon coupling constant, and G P ( 0.88 m μ 2 ) ≡ g P * = 8.99 ( 39 ) ( 49 ) for the induced pseudoscalar form factor at the muon capture point. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Gravitational form factors of charmonia

We investigate the gravitational form factors of charmonium. Our method is based on a Hamiltonian formalism on the light front known as basis light-front quantization. The charmonium mass spectrum and light-front wave functions were obtained from diagonalizing an effective Hamiltonian that incorporates confinement from holographic QCD and one-gluon exchange interaction from light-front QCD. We proposed a quantum many-body approach to construct the hadronic matrix elements of the energy momentum tensor T + + and T + − , which are used to extract the gravitational form factors A ( Q 2 ) and D ( Q 2 ) . The obtained form factors satisfy the known constraints, e.g., the von Laue condition. From these quantities, we also extract the energy, pressure and light-front energy distributions of the system. We find that hadrons are multilayer systems. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Timelike meson form factors beyond the elastic region from lattice QCD

We present a calculation of the vector-isovector timelike form factors of the pion and the kaon using lattice quantum chromodynamics. We calculate two-point correlation functions with m π ∼ 280 MeV , extracting both the finite-volume spectrum and matrix elements for these states created from the vacuum by a vector current. After determining the coupled-channel π π , K K ¯ scattering amplitudes, we perform the necessary correction for the significant finite-volume effects present in the current matrix elements, leading to the timelike form factors. We find these to be dominated by the presence of the ρ resonance, and we extract its decay constant by an analytic continuation of the amplitudes to the resonance pole. In addition, the spacelike pion form factor is determined on the same lattice configurations, and a dispersive parametrization is used to simultaneously describe the spacelike and elastic timelike regions. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

QCD factorization with multihadron fragmentation functions

Important aspects of quantum chromodynamics (QCD) factorization theorems are the properties of the objects involved that can be identified as universal. One example is that the definitions of parton densities and fragmentation functions for different types of hadrons differ only in the identity of the nonperturbative states that form the matrix elements, but are otherwise the same. This leads to independence of perturbative calculations on nonperturbative details of external states. It also lends support to interpretations of correlation functions as encapsulations of intrinsic nonperturbative properties. These characteristics have usually been presumed to still hold true in fragmentation functions even when the observed nonperturbative state is a small-mass cluster of n hadrons rather than simply a single isolated hadron. However, the multidifferential aspect of cross sections that rely on these latter types of fragmentation functions complicates the treatment of kinematical approximations in factorization derivations. That has led to recent claims that the operator definitions for fragmentation functions need to be modified from the single hadron case with nonuniversal prefactors. With such concerns as our motivation, we retrace the steps for factorizing the unpolarized semi-inclusive e + e − annihilation cross section and confirm that they do apply without modification to the case of a small-mass multihadron observed in the final state. In particular, we verify that the standard operator definition from single hadron fragmentation, with its usual prefactor, remains equally valid for the small-mass n -hadron case with the same hard parts and evolution kernels, whereas the more recently proposed definitions with nonuniversal prefactors do not. Our results reaffirm the reliability of most past phenomenological applications of dihadron fragmentation functions. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Mass dependence of pseudoscalar meson elastic form factors

A continuum approach to quark-antiquark bound-states is used to determine the electromagnetic form factors of pion-like mesons with masses m 0- /GeV = 0.14, 0.47, 0.69, 0.83 on a spacelike domain that extends to Q 2 ≲ 10 GeV 2 . The results enable direct comparisons with contemporary lattice-QCD calculations of heavy-pion form factors at large values of momentum transfer and aid in understanding them. Finally, they also reveal, inter alia, that the form factor of the physical pion provides the best opportunity for verification of the factorised hard-scattering formula relevant to this class of exclusive processes and that this capacity diminishes steadily as the meson mass becomes heavier.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Spectral form factors of clean and random quantum Ising chains

We compute the spectral form factor of two integrable quantum-critical many-body systems in one spatial dimension. The spectral form factor of the quantum Ising chain is periodic in time in the scaling limit described by a conformal field theory; we also compute corrections from lattice effects and deviation from criticality. Iin this work, criticality in the random Ising chain is described by rare regions associated with a strong randomness fixed point, and these control the long-time limit of the spectral form factor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Structure Factors of Neutron Matter at Finite Temperature

Here, we compute continuum and infinite volume limit extrapolations of the structure factors of neutron matter at finite temperature and density. Using a lattice formulation of leading-order pionless effective field theory, we compute the momentum dependence of the structure factors at finite temperature and at densities beyond the reach of the virial expansion. The Tan contact parameter is computed and the result agrees with the high momentum tail of the vector structure factor. All errors, statistical and systematic, are controlled for. This calculation is a first step towards a model-independent understanding of the linear response of neutron matter at finite temperature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Determination of the Σ + Timelike Electromagnetic Form Factors

Based on data samples collected with the BESIII detector at the BEPCII collider, the process e + e − → Σ + Σ ¯ − is studied at center-of-mass energies s = 2.3960 , 2.6454, and 2.9000 GeV. Using a fully differential angular description of the final state particles, both the relative magnitude and phase information of the Σ + electromagnetic form factors in the timelike region are extracted. The relative phase between the electric and magnetic form factors is determined to be sin Δ Φ = − 0.67 ± 0.29 ( stat ) ± 0.18 ( syst ) at s = 2.3960 GeV , Δ Φ = 55 ° ± 19 ° ( stat ) ± 14 ° ( syst ) at s = 2.6454 GeV , and 78 ° ± 22 ° ( stat ) ± 9 ° ( syst ) at s = 2.9000 GeV . For the first time, the phase of the hyperon electromagnetic form factors is explored in a wide range of four-momentum transfer. The evolution of the phase along with four-momentum transfer is an important input for understanding its asymptotic behavior and the dynamics of baryons. Published by the American Physical Society 2024

Physics↗
DOE OSTI2024

Shot noise and universal Fano factor as a characterization of strongly correlated metals

Shot noise measures out-of-equilibrium current fluctuations and is a powerful tool to probe the nature of current-carrying excitations in quantum systems. Recent shot-noise measurements in the heavy-fermion strange metal YbRh 2 Si 2 exhibit a strong suppression of the Fano factor ( F )—the ratio of the current noise to the average current in the dc limit. This system is representative of metals in which electron correlations are extremely strong. Here we carry out the first theoretical study on the shot noise of diffusive metals in the regime of strong correlations. A Boltzmann-Langevin equation formulation is constructed in a quasiparticle description in the presence of strong correlations. We find that F = 3 / 4 in such a correlation regime. Thus, we establish the aforementioned Fano factor as universal to Fermi liquids, and we show that the Fano factor suppression observed in experiments on YbRh 2 Si 2 necessitates a loss of the quasiparticles. Our work opens the door to systematic theoretical studies of shot noise as a means of characterizing strongly correlated metallic phases and materials. Published by the American Physical Society 2024

Wang, Yiming (ORCID:0000000277582921)↗
DOE OSTI2018

A Trihelix Family Transcription Factor Is Associated with Key Genes in Mixed-Linkage Glucan Accumulation

Mixed-linkage glucan (MLG) is a polysaccharide that is highly abundant in grass endosperm cell walls and present at lower amounts in other tissues. Cellulose synthase-like F (CSLF) and cellulose synthase-like H genes synthesize MLG, but it is unknown if other genes participate in the production and restructuring of MLG. Using Brachypodium distachyon transcriptional profiling data, we identified a B. distachyon trihelix family transcription factor (BdTHX1) that is highly coexpressed with the B. distachyon CSLF6 gene (BdCSLF6), which suggests that BdTHX1 is involved in the regulation of MLG biosynthesis. To determine the genes regulated by this transcription factor, we conducted chromatin immunoprecipitation sequencing (ChIP-seq) experiments using immature B. distachyon seeds and an anti-BdTHX1 polyclonal antibody. The ChIP-seq experiment identified the second intron of BdCSLF6 as one of the most enriched sequences. The binding of BdTHX1 to the BdCSLF6 intron sequence was confirmed using electrophoretic mobility shift assays (EMSA). ChIP-seq also showed that a gene encoding a grass-specific glycoside hydrolase family 16 endotransglucosylase/hydrolase (BdXTH8) is bound by BdTHX1, and the binding was confirmed by EMSA. Radiochemical transglucanase assays showed that BdXTH8 exhibits predominantly MLG:xyloglucan endotransglucosylase activity, a hetero-transglycosylation reaction, and can thus produce MLG-xyloglucan covalent bonds; it also has a lower xyloglucan:xyloglucan endotransglucosylase activity. B. distachyon shoots regenerated from transformed calli overexpressing BdTHX1 showed an abnormal arrangement of vascular tissue and seedling-lethal phenotypes. Finally, these results indicate that the transcription factor BdTHX1 likely plays an important role in MLG biosynthesis and restructuring by regulating the expression of BdCSLF6 and BdXTH8.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors

Form factors based on aspherical models of atomic electron density have brought great improvement in the accuracies of hydrogen atom parameters derived from X-ray crystal structure refinement. Today, two main groups of such models are available, the banks of transferable atomic densities parametrized using the Hansen–Coppens multipole model which allows for rapid evaluation of atomic form factors and Hirshfeld atom refinement (HAR)-related methods which are usually more accurate but also slower. In this work, a model that combines the ideas utilized in the two approaches is tested. It uses atomic electron densities based on Hirshfeld partitions of electron densities, which are precalculated and stored in a databank. This model was also applied during the refinement of the structures of five small molecules. A comparison of the resulting hydrogen atom parameters with those derived from neutron diffraction data indicates that they are more accurate than those obtained with the Hansen–Coppens based databank, and only slightly less accurate than those obtained with a version of HAR that neglects the crystal environment. The advantage of using HAR becomes more noticeable when the effects of the environment are included. To speed up calculations, atomic densities were represented by multipole expansion with spherical harmonics up to l = 7, which used numerical radial functions (a different approach to that applied in the Hansen–Coppens model). Calculations of atomic form factors for the small protein crambin (at 0.73 Å resolution) took only 68 s using 12 CPU cores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

SparseLU, A Novel Algorithm and Math Library for Sparse LU Factorization

Decomposing sparse matrices into lower and upper triangular matrices (sparse LU factorization) is a key operation in many computational scientific applications. We developed SparseLU, a sparse linear algebra library that implements a new algorithm for LU factorization on general sparse matrices. The new algorithm divides the input matrix into tiles to which OpenMP tasks are created for factorization computation, where only tiles that contain nonzero elements are computed. For comparative performance analysis, we used the reference library SuperLU. Testing was performed on synthetically generated matrices which replicate the conditions of the real-world matrices. SparseLU is able to reach a mean speedup of ~29× compared to SuperLU.

Valero Lara, Pedro↗
DOE OSTI2022

Identifying Hydrometeorological Factors Influencing Reservoir Releases Using Machine Learning Methods

Simulation of reservoir releases plays a critical role in social-economic functioning and our nation's security. How-ever, it is challenging to predict the reservoir release accurately because of many influential factors from natural environments and engineering controls such as the reservoir inflow and storage. Moreover, climate change and hydrological intensification causing the extreme precipitation and temperature make the accurate prediction of reservoir releases even more challenging. Machine learning (ML) methods have shown some successful applications in simulating reservoir releases. However, previous studies mainly used inflow and storage data as inputs and only considered their short-term influences (e.g, previous one or two days). In this work, we use long short-term memory (LSTM) networks for reservoir release prediction based on four input variables including inflow, storage, precipitation, and temperature and consider their long-term influences. We apply the LSTM model to 30 reservoirs in Upper Colorado River Basin, United States. We analyze the prediction performance using six statistical metrics. More importantly, we investigate the influence of the input hydrometeorological factors, as well as their temporal effects on reservoir release decisions. Results indicate that inflow and storage are the most influential factors but the inclusion of precipitation and temperature can further improve the prediction of release especially in low flows. Additionally, the inflow and storage have a relatively long-term effect on the release. These findings can help optimize the water resources management in the reservoirs.

Fan, Ming↗