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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Crystal growth and evolution of magnetism in the EuCuP-EuCuAs solid solution

The hexagonal EuMX (M = Cu, Ag, Au; X = P, As, Sb, Bi) compounds host interesting electronic and magnetic properties, with seemingly intertwined topology and transport properties. One key feature of such behavior is the nature of the ordered magnetic structure. In EuCuAs, a topological Hall effect is caused by a conical spin structure that emerges when a field is applied within the easy-plane (H ⊥ c) of the helical ground state that exists below the Neel temperature of T N = 14 K. On the other hand, EuCuP is an easy-axis ferromagnet with a Curie temperature T C near 31 K. Here, in this study, we investigate the evolution of the magnetic properties in EuCuAs 1-x P x single crystals with 0.16 ≤ x ≤ 0.75. Crystals grown by cooling slowly in a Sn flux possessed macroscale inhomogeneity of As/P, particularly for arsenic-rich crystals. However, growth in a Sn flux via an isothermal dwell at 600 °C produced crystals that were homogeneous within the resolution of the probes utilized to investigate these crystals. The unit cell volumes, Curie-Weiss temperatures, and magnetic transitions trend linearly with composition and the magnetic anisotropy is reduced in the alloys. The magnetization data of crystals with x = 0.16 and 0.24 indicate an easy-plane antiferromagnetic ground state while ferromagneticlike behavior is observed for crystals with x ≥ 0.41. The temperature-dependent magnetization data possess multiple transitions for compositions near EuCuAs 0.75 P 0.25 , revealing a competition of ground states in this arsenic-rich region of the phase diagram. Neutron diffraction data for EuCuP are also presented as a follow up to previous results that revealed a two-step transition at T C ; the observed data were consistent with ferromagnetic order at T = 5K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

(U) Segmented Scintillator Pitch, Thickness, and Septa Material Effects on the Swank Factor, Quantum Efficiency, and DQE(0) for High-Energy X-Ray Radiography

Scintillator design is an important aspect in constructing a radiographic facility in order to collect the most robust data possible. For the proposed Enhanced Capabilities for Sub-critical Experiment (ECSE) facility in Nevada, we explored a permutation of 13 segmented scintillator designs in order to understand the best performance and trade offs for each design. We calculated the quantum efficiency, Swank factor, and detective quantum efficiency at zero-frequency (DQE(0)) for each scintillator design in order to compare performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Atmospheric neutrino oscillation analysis with neutron tagging and an expanded fiducial volume in Super-Kamiokande I–V

We present a measurement of neutrino oscillation parameters with the Super-Kamiokande detector using atmospheric neutrinos from the complete pure-water SK I–V (April 1996–July 2020) dataset, including events from an expanded fiducial volume. The dataset corresponds to 6511.3 live days and an exposure of 484.2 kiloton-years. Measurements of the neutrino oscillation parameters Δ⁢𝑚$^2_{3⁢2}$, sin 2 ⁡𝜃 2⁢3 , sin 2⁡ 𝜃 1⁢3 , 𝛿 CP , and the preference for the neutrino mass ordering are presented with atmospheric neutrino data alone, and with constraints on sin 2 ⁡𝜃 1⁢3 from reactor neutrino experiments. Our analysis including constraints on sin 2 ⁡𝜃 1⁢3 favors the normal mass ordering at the 92.3% level.

Cherenkov detectors↗
DOE OSTI2023

Regridding uncertainty for statistical downscaling of solar radiation

Abstract. Initial steps in statistical downscaling involve being able to compare observed data from regional climate models (RCMs). This prediction requires (1) regridding RCM outputs from their native grids and at differing spatial resolutions to a common grid in order to be comparable to observed data and (2) bias correcting RCM data, for example via quantile mapping, for future modeling and analysis. The uncertainty associated with (1) is not always considered for downstream operations in (2). This work examines this uncertainty, which is not often made available to the user of a regridded data product. This analysis is applied to RCM solar radiation data from the NA-CORDEX (North American Coordinated Regional Climate Downscaling Experiment) data archive and observed data from the National Solar Radiation Database housed at the National Renewable Energy Lab. A case study of the mentioned methods over California is presented.

14 SOLAR ENERGY↗
DOE OSTI2023

Using synthetic infrared spectra derived from n/k optical constants for standoff detection of chemical deposits

We report results from a recent field experiment to test the validity of using physics-based synthetic infrared spectra to serve as endmembers in a spectral database targeted at chemical deposits. Specifically, the optical constants n and k, (the real and imaginary part of the refractive index) were used to first model infrared reflectance spectra for different thicknesses of chemical layers (e.g. acetaminophen, methylphosphonic acid – MPA, etc.) on various conducting and insulating substrates such as aluminum, wood, and glass. In the experimental portion of the research, thin films of the solid and liquid analytes were deposited onto such substrates to form micron-thick layers of the analytes at different thicknesses: Standoff data from an imaging instrument were then recorded and analyzed to not only identify the different analytes, but also quantify the layer/deposit thickness. To gauge success, the detection results using the synthetic data were compared to the results from hemispherical reflectance (HRF) spectra that were collected for the same sample planchets measured in the field via standoff methods. Preliminary results indicate good agreement between the synthetic reference data as compared to the lab-measured HRF data in terms of their ability to quantitatively reduce longwave infrared data. Specifically, modeled IR spectra for acetaminophen on an aluminum planchet at various thicknesses (1, 2, 5, 10, 15, and 20 µm) were synthesized and compared with standoff field reflectance data as well as HRF laboratory reflectance spectra for two samples: a 5.2 µm- and 12.8 µm-thick layer of acetaminophen on aluminum. Using a first-order approximation, analysis of the field data estimates the thicknesses of the samples to be 2 and 10 µm for the two samples, respectively, while the HRF laboratory data yields thickness estimates of between 5-10 µm and 10 µm, respectively. Both yield reasonable estimates, with the uncertainty most likely due to factors yet to be accounted for in the synthetic spectra such as light scattering.

complex index of refraction, optical constants, hy↗
DOE OSTI2026

3⁢𝑄 magnetic order with spatially alternating spin scalar chirality in overdoped C⁢o 0.336⁢ Ta⁢S 2

C⁢o 𝑥 ⁢Ta⁢S 2 (𝑥≈1/3) exhibits a spontaneous Hall effect from spin texture in antiferromagnets, with a tetrahedral triple-Q (3Q) order and uniform spin scalar chirality. Upon Co overdoping (𝑥>1/3), it undergoes a shift in magnetic ordering vectors from 𝐐 m =(1/2, 0, 0) to (1/3, 0, 0). Interestingly, the spontaneous Hall effect disappeared in the overdoped regime, which was originally attributed to the loss of 3Q order. However, a question remains whether a new type of 3Q order can exist with alternating chirality in the overdoped regime. To address this, we investigated C⁢o 0.336⁢ Ta⁢S 2 using inelastic neutron scattering (INS), neutron diffraction, and optical dichroism, and found that INS data and spin-wave simulations support a 3Q order with alternating chirality. Moreover, neutron diffraction data show field-independent Bragg peaks, while linear dichroism detects no in-plane anisotropy, consistent with threefold rotation symmetry. Our data support the scenario of an alternating-chirality 3Q order in C⁢o 0.336 ⁢Ta⁢S 2 , canceling the spontaneous Hall effect. Furthermore, this study highlights a combined neutron-optical approach to identify complex spin textures.

Landau-Lifschitz-Gilbert equation↗
DOE OSTI2022

Real-Time Optimization Workflow Status Update

Economically optimal and safe operation of integrated energy systems (IES) requires optimization at many different time scales. A real-time optimization (RTO) workflow will attempt to maximize revenue and minimize operational costs on a time scale of minutes to hours. Such a workflow requires the use of a digital twin (DT), which is a virtual representation of a physical system. The DT is updated using real-time data from the physical system, and serves as a model in an optimization framework. The optimization results are then sent back to the physical system to complete the loop. This report details the progress made in developing building blocks for a DT/RTO framework. The Risk Analysis Virtual Environment (RAVEN) platform within the Framework for Optimization of Resources and Economics (FORCE) tool suite can perform many of the tasks required for building a DT and performing RTO. The first item of this report details RAVEN enhancements that enable RAVEN workflows to be run in various environments. Data communication between the physical system and its DT is essential for successful RTO. This includes preprocessing real-time data, loading data into a data warehouse, and querying the stored data. The second section of this report describes the progress made in implementing an adapter in Python in order for Deep Lynx to handle the data communication. Typical dispatch optimization frameworks are built on linear programming (LP). The prototype RTO workflow developed in this report uses an LP problem as a part of a receding-horizon- or economic model predictive control (EMPC) based optimization. The third section of this report details the framework of an RTO workflow in which the system consists of a simple electrical storage device. A DT can be built from a reduced-order model (ROM). Integrating a ROM into a typical LP optimization framework has been challenging because most optimization packages require the user to write algebraic expressions for the system model. The final section of this report shows how an externally built RAVEN ROM can be integrated in an RTO framework by using the Python package Pyomo. This demonstrates the RTO workflow capability from a software-only perspective and is an important step in demonstrating the capability to implement an RTO workflow for a physical system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Graphene SHDMC Data

The data used to produce all of the figures and tables in the manuscript titled "Highly Accurate Many-Body Theory Reaches 2D Materials" can be found here. This data set includes: -SHDMC results for graphene -selected CI with and without re-normalized second-order perturbation (rPT2) theory corrections for graphene -data demonstrating that SHDMC displays an exponential rate of convergence -data used for sCI + rPT2 complete basis set extrapolation -data used to extrapolate SHDMC energies to the infinite basis limit -data used to demonstrate compactness of SHDMC wavefunction

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Determination of the parton distribution functions of the proton from ATLAS measurements of differential W ± and Z boson production in association with jets

This article presents a new set of proton parton distribution functions, AT-LASepWZVjet20, produced in an analysis at next-to-next-to-leading order in QCD. The new data sets considered are the measurements of W + and W - boson and Z boson production in association with jets in pp collisions at $\sqrt{s}$ = 8TeV performed by the ATLAS experiment at the LHC with integrated luminosities of 20.2 fb -1 and 19.9 fb -1 , respectively. The analysis also considers the ATLAS measurements of differential W ± and Z boson production at $\sqrt{s}$ = 7TeV with an integrated luminosity of 4.6 fb -1 and deep-inelastic-scattering data from e ± p collisions at the HERA accelerator. An improved determination of the sea-quark densities at high Bjorken x is shown, while confirming a strange-quark density similar in size to the up- and down-sea-quark densities in the range x ≲ 0.02 found by previous ATLAS analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Unpolarized transverse momentum distributions from a global fit of Drell-Yan and semi-inclusive deep-inelastic scattering data

We present an extraction of unpolarized transverse-momentum-dependent parton distribution and fragmentation functions based on more than two thousand data points from several experiments for two different processes: semi-inclusive deep-inelastic scattering and Drell-Yan production. The baseline analysis is performed using the Monte Carlo replica method and resumming large logarithms at N 3 LL accuracy. The resulting description of the data is very good (χ 2 /N dat = 1.06). For semi-inclusive deep-inelastic scattering, predictions for multiplicities are normalized by factors that cure the discrepancy with data introduced by higher-order perturbative corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Anomalous X-Ray Scattering and Extended X-Ray Absorption Fine Structure Study of the Local Structure of CrFeCoNiMo x (x = 0.11, 0.18, and 0.23) High-Entropy Alloys

Anomalous x-ray scattering (AXS) and extended x-ray absorption fine structure (EXAFS) were used to determine the local structure of Mo in CrFeCoNiMo x (x = 0.11, 0.18, and 0.23), a high-entropy alloy with a face-centered cubic (FCC) lattice. No superlattice peaks were observed down to the 10 -4 intensity level. This observation along with the nearly constant decrease of the FCC diffraction peaks above the Mo K absorption edge suggests that Mo atoms have no preferred site occupancy in the FCC lattice. Modeling of the EXAFS data suggests a local chemical order in CrFeCoNiMo x , where in Mo-rich samples (e.g., x = 0.23), Mo atoms are preferably surrounded by lighter atoms, such as Cr.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Modification of magnetic ground state in Tb 2 Ni 0.90 Si 2.94 by thermal annealing

In this work, we have investigated the thermal annealing effect on the physical properties of an AlB 2 -type ternary intermetallic compound, Tb 2 Ni 0.90 Si 2.94 , that undergoes spin freezing behaviour coexisting with spatially limited antiferromagnetic phase below 9.9 K in as-cast form. Thermal annealing effect is found to result in considerable changes in the magnetic ground state properties of the system. Though only one magnetic transition around 9.9 K is observed for as-cast compound, the annealed sample exhibits two distinct magnetic transitions; one around T N ~ 13.5 K and another around T f ~ 4 K. The magnetization measurements and zero field neutron diffraction study reveal that the high temperature transition is antiferromagnetic type, though of limited correlation length, while the low temperature transition corresponds to spin freezing behaviour. The ac susceptibility and heat capacity studies also confirm the existence of frustrated cluster glass state at lower temperature than the antiferromagnetic ordering temperature. Additionally, ac susceptibility data exhibits signature of an additional peak in the even lower temperature region (at 2.2 K for zero frequency) that tends to shift in opposite direction with frequency in contrast to that observed for conventional glassy transitions. The change in intrinsic local structural disorder of Ni and Si ions associated with annealing has been argued to be responsible for the different magnetic behaviour in as-cast and annealed samples.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A reduced-order model for nonlinear radiative transfer problems based on moment equations and POD-Petrov-Galerkin projection of the normalized Boltzmann transport equation

A data-driven projection-based reduced-order model (ROM) for nonlinear thermal radiative transfer (TRT) problems is presented. The TRT ROM is formulated by (i) a hierarchy of low-order quasidiffusion (aka variable Eddington factor) equations for moments of the radiation intensity and (ii) the normalized Boltzmann transport equation (BTE). The multilevel system of moment equations is derived by projection of the BTE onto a sequence of subspaces which represent elements of the phase space of the problem. Exact closure for the moment equations is provided by the Eddington tensor. A Petrov-Galerkin (PG) projection of the normalized BTE is formulated using a proper orthogonal decomposition (POD) basis representing the normalized radiation intensity over the whole phase space and time. The Eddington tensor linearly depends on the solution of the normalized BTE. By linear superposition of the POD basis functions, a low-rank expansion of the Eddington tensor is constructed with coefficients defined by the PG projected normalized BTE. The material energy balance (MEB) equation is coupled with the effective gray low-order equations which exist on the same dimensional scale as the MEB equation. The resulting TRT ROM is structure and asymptotic preserving. A detailed analysis of the ROM is performed on the classical Fleck-Cummings (F-C) TRT multigroup test problem in 2D geometry. Numerical results are presented to demonstrate the ROM's effectiveness in the simulation of radiation wave phenomena. Importantly, the ROM is shown to produce solutions with sufficiently high accuracy while using low-rank approximation of the normalized BTE solution. Essential physical characteristics of supersonic radiation wave are preserved in the ROM solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Neutron elastic and inelastic scattering differential cross sections on carbon

Elastic and inelastic neutron scattering angular distributions were measured on natural carbon samples to confirm existing experimental data and evaluations in the fast neutron region and to guide improvements in resonance parameters, where needed. Sixty-four (n,n') differential cross section measurements were performed at 45 incident neutron energies between 0.5 and 8.0 MeV. Experimental angle-integrated elastic scattering cross sections are consistent with ENDF/B-VIII.0 values with the exception of the region from 3.2 to 4.0 MeV where our results are ~3% higher. In the 3.4 to 3.6 MeV region our differential cross sections are slightly lower at forward angles and somewhat higher at backward angles than the ENDF/B-VIII.0 calculations; however, our results are consistent with measured data from other research groups. The first- through fourth-order elastic scattering Legendre coefficients from fits to these experimental data are consistent with ENDF/B-VIII.0 values across this range of incident neutron energies. Inelastic scattering cross sections were measured at 12 incident neutron energies between 5.6 and 7.8 MeV. Angle-integrated cross sections agree well with the 1978 Perey and ENDF/B-VIII.0 values; however, the angular-distribution shapes deviate somewhat from the ENDF/B-VIII.0 calculations. These data will allow refinement of the resonance parameter description in this difficult energy region.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Sub-Ångström-resolution MicroED Using a Direct Detection Camera

The recent development of microcrystal electron diffraction (MicroED) in electron cryo-microscopy (cryo-EM) has addressed many of the challenges of X-ray crystallography [1], filling a long-standing need in organic chemistry for rapid and accurate high-resolution structural characterization [2]. Like X-ray crystallography, this is also a diffraction technique requiring crystalline specimens, but because high energy electrons have a more favorable ration of elastic to inelastic scattering [3], MicroED can acquire data using crystals that are orders of magnitude smaller than those needed for X-ray crystallography—even as small as 50 nm in length [4]. Additionally, the instrumentation required for MicroED is readily available, as many chemistry and biology labs already have access to cryo-capable transmission electron microscopes (TEM).

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

Land Resources for Wind Energy Development Requires Regionalized Characterizations

Estimates of the land area occupied by wind energy differ by orders of magnitude due to data scarcity and inconsistent methodology. Here, we developed a method that combines machine learning-based imagery analysis and geographic information systems and examined the land area of 318 wind farms (15,871 turbines) in the U.S. portion of the Western Interconnection. We found that prior land use and human modification in the project area are critical for land-use efficiency and land transformation of wind projects. Projects developed in areas with little human modification have a land-use efficiency of 63.8 ± 8.9 W/m 2 (mean ±95% confidence interval) and a land transformation of 0.24 ± 0.07 m 2 /MWh, while values for projects in areas with high human modification are 447 ± 49.4 W/m 2 and 0.05 ± 0.01 m 2 /MWh, respectively. We show that land resources for wind can be quantified consistently with our replicable method, a method that obviates >99% of the workload using machine learning. To quantify the peripheral impact of a turbine, buffered geometry can be used as a proxy for measuring land resources and metrics when a large enough impact radius is assumed (e.g., >4 times the rotor diameter). Our analysis provides a necessary first step toward regionalized impact assessment and improved comparisons of energy alternatives.

17 WIND ENERGY↗
DOE OSTI2022

High Resolution Photoelectron Spectroscopy of the Acetyl Anion

High-resolution photoelectron spectra of cryogenically cooled acetyl anions (CH 3 CO - ) obtained using slow photoelectron velocity-map imaging are reported. The high resolution of the photoelectron spectrum yields a refined electron affinity of 0.4352 ± 0.0012 eV for the acetyl radical as well as the observation of a new vibronic structure that is assigned based on ab initio calculations. Three vibrational frequencies of the neutral radical are measured to be 1047 ± 3 cm -1 (ν 6 ), 834 ± 2 cm -1 (ν 7 ), and 471 ± 1 cm -1 (ν 8 ). Here this work represents the first experimental measurement of the ν 6 frequency of the neutral. The measured electron affinity is used to calculate a refined value of 1641.35 ± 0.42 kJ mol -1 for the gas-phase acidity of acetaldehyde. Analysis of the photoelectron angular distributions provides insight into the character of the highest occupied molecular orbital of the anion, revealing a molecular orbital with strong d-character. Additionally, details of a new centroiding algorithm based on finite differences, which has the potential to decrease data acquisition times by an order of magnitude at no cost to accuracy, are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗