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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Single-Electron Transfer Stabilizes Metastable Alane in a Bipyridine-Functionalized MOF Nanopore

Nanoconfinement of metastable hydrides such as alane (AlH 3 ) in functionalized porous frameworks represents a promising yet largely untapped strategy for high-capacity energy storage. Despite its potential, the underlying mechanisms responsible for the thermodynamic stabilization of metastable hydrides are poorly understood. Here, in this study, concepts from solution Lewis acid–base chemistry were applied to a crystalline metal–organic framework (MOF) to stabilize AlH 3 . The long-range order and synthetically versatile pore chemistry enabled us to reveal the intimate details of the hydride-host interactions. Powder X-ray diffraction (PXRD) of AlH 3 -infiltrated UiO-67bpy (Zr 6 O 4 (OH) 4 (bpydc) 6 ; bpydc 2– = 2,2′-bipyridine-5,5′-dicarboxylate) confirms that the framework maintains its crystallinity up to 250 °C and is stable under 70 MPa H 2 pressure. We find that thermodynamic stabilization arises from coupled single-electron and hydrogen-atom transfer from AlH 3 to bipyridine-containing linkers. Electron paramagnetic resonance detects a bipyridyl radical with an anisotropic g-tensor (g values of 2.00132, 2.00215, and 2.00275), consistent with Bader charge analysis predicting 0.82 e – transferred from the hydride to the MOF. These findings establish critical structure–property relationships underpinning AlH 3 stabilization and suggest general strategies for tuning the thermodynamics and kinetics of metastable materials.

Shivanna, Mohana [Sandia National Laboratories (SN↗
DOE OSTI2021

Multimessenger cosmology: Correlating cosmic microwave background and stochastic gravitational wave background measurements

Characterizing the physical properties of the stochastic gravitational wave background (SGWB) is a key step towards identifying the nature of its possible origin. We focus our analysis on SGWB anisotropies. The existence of a nontrivial primordial scalar-tensor-tensor (STT) correlation in the squeezed configuration may be inferred from the effect that a long wavelength scalar mode has on the gravitational wave power spectrum: an anisotropic contribution. Crucially, such a contribution is correlated with temperature anisotropies in the cosmic microwave background (CMB). This paper shows that, for inflationary models that generate suitably large STT non-Gaussianities, cross correlating the CMB with the stochastic background of gravitational waves is a very effective probe of early universe physics. The resulting signal can be a smoking gun for primordial SGWB anisotropies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Overview of Hydraulic Fracturing Test Site 2 in the Permian Delaware Basin (HFTS-2)

Here, the Hydraulic Fracturing Test Site 2 (HFTS-2) is a large collaborative field-based R&D program in the Permian Delaware Basin, funded by the US Department of Energy through the National Energy Technology Laboratory (NETL) and the E&P industry, with support from academia. The projects' main objective is to improve the understating of the hydraulic fracturing process through utilization of advanced diagnostics and collection of through-fracture cores to provide undisputable evidence and attributes of the created hydraulic fractures. At the HFTS-2, in excess of $30 million was used to perform hydraulic fracturing research focusing on the Wolfcamp formation at a field site hosted and operated by Occidental. In addition to the research data collected by the project, Occidental provided a significant amount of background data for about a dozen existing wells in the test area as well as access to previously collected core. Additional technical and laboratory support was provided by the program members. Building on learnings and unanswered questions from HFTS-1 in the Permian Midland basin, the HFTS-2 used eight new producing wells and two existing (parent) wells to perform hydraulic fracturing research. Multiple science wells were drilled to sample and characterize the subsurface, including the collection of 540 feet of core in a vertical pilot hole and 948 feet of high-angle through-fracture core. The project installed permanent fiber optic cables in 3 wells to monitor near wellbore signals during fracturing and to collect cross-well strain measurements. Additional advanced diagnostics included a significant formation evaluation program on the vertical whole core, multi array moment tensor inversion capable microseismic survey, multi-well time-lapse geochemistry analysis, analysis of proppant distribution in producing child and slant core well, and others. We will provide an overview of the HFTS-2 project, including list of the consortium members, details of the test site, experiments performed, and technologies tested.

58 GEOSCIENCES↗
NASA NTRS1986

Predicting crack growth direction in unidirectional composites

The purpose of this study is to gain a better understanding of the parameters affecting crack growth direction in unidirectional composite materials. To achieve this, the effect of anisotropy and biaxial, far field, loading on the direction of crack growth in unidirectional off-axis composite materials is investigated. Specific emphasis is placed on defining the crack-tip-stress field and finding a consistent criterion for predicting the direction of crack growth. An anisotropic crack-tip-stress analysis was implemented using three criteria (the normal stress ratio theory, the tensor polynomial failure criterion, and the strain energy density theory) to predict the direction of crack extension in unidirectional off-axis graphite-epoxy. The theoretically predicted crack extension directions were then compared with experimental results. It was determined that only the normal stress-ratio criterion correctly predicts the direction of crack extension.

Gregory, M. A.↗
NASA NTRS1987

Nonlinear analysis for the response and failure of compression-loaded angle-ply laminates with a hole

The objective was to determine the effect of nonlinear material behavior on the response and failure of unnotched and notched angle-ply laminates under uniaxial compressive loading. The endochronic theory was chosen as the constitutive theory to model the AS4/3502 graphite-epoxy material system. Three-dimensional finite element analysis incorporating the endochronic theory was used to determine the stresses and strains in the laminates. An incremental/iterative initial strain algorithm was used in the finite element program. To increase computational efficiency, a 180 deg rotational symmetry relationship was utilized and the finite element program was vectorized to run on a supercomputer. Laminate response was compared to experimentation revealing excellent agreement for both the unnotched and notched angle-ply laminates. Predicted stresses in the region of the hole were examined and are presented, comparing linear elastic analysis to the inelastic endochronic theory analysis. A failure analysis of the unnotched and notched laminates was performed using the quadratic tensor polynomial. Predicted fracture loads compared well with experimentation for the unnotched laminates, but were very conservative in comparison with experiments for the notched laminates.

Mathison, Steven R.↗
NASA NTRS1981

Asymptotic form of the longitudinal correlation function for isotropic homogeneous turbulence

An asymptotic form is derived for the longitudinal correlation function for isotropic homogeneous turbulence in an incompressible fluid governed by the Navier-Stokes equation. The result is obtained from an analysis of the algebraic-differential structure of the two-point correlation tensor contained in the complex-valued Fourier transform of the probability measure over the turbulence ensemble, which reveals that the Hopf characteristic functional (the complex-valued Fourier transform of the probability measure) satisfies the Fourier interference inequality. Consequences of the expression obtained, in which the correlation function is a positive definite function of the inverse cube of the spatial coordinate as it approaches infinity, are shown to include the nonexistence of the Loitsianskii invariant, and the solution is shown to be consistent with empirical formulas.

Rosen, G.↗
NASA NTRS1991

Explicit robust schemes for implementation of a class of principal value-based constitutive models: Theoretical development

The issue of developing effective and robust schemes to implement a class of the Ogden-type hyperelastic constitutive models is addressed. To this end, explicit forms for the corresponding material tangent stiffness tensors are developed, and these are valid for the entire deformation range; i.e., with both distinct as well as repeated principal-stretch values. Throughout the analysis the various implications of the underlying property of separability of the strain-energy functions are exploited, thus leading to compact final forms of the tensor expressions. In particular, this facilitated the treatment of complex cases of uncoupled volumetric/deviatoric formulations for incompressible materials. The forms derived are also amenable for use with symbolic-manipulation packages for systematic code generation.

Saleeb, A. F.↗
NASA NTRS2017

Spaceflight Effect on White Matter Structural Integrity

Recent reports of elevated brain white matter hyperintensity (WMH) counts and volume in postflight astronaut MRIs suggest that further examination of spaceflight's impact on the microstructure of brain white matter is warranted. To this end, retrospective longitudinal diffusion-weighted MRI scans obtained from 15 astronauts were evaluated. In light of the recent reports of microgravity-induced cephalad fluid shift and gray matter atrophy seen in astronauts, we applied a technique to estimate diffusion tensor imaging (DTI) metrics corrected for free water contamination. This approach enabled the analysis of white matter tissue-specific alterations that are unrelated to fluid shifts, occurring from before spaceflight to after landing. After spaceflight, decreased fractional anisotropy (FA) values were detected in an area encompassing the superior and inferior longitudinal fasciculi and the inferior fronto-occipital fasciculus. Increased radial diffusivity (RD) and decreased axial diffusivity (AD) were also detected within overlapping regions. In addition, FA values in the corticospinal tract decreased and RD measures in the precentral gyrus white matter increased from before to after flight. The results show disrupted structural connectivity of white matter in tracts involved in visuospatial processing, vestibular function, and movement control as a result of spaceflight. The findings may help us understand the structural underpinnings of the extensive spaceflight-induced sensorimotor remodeling. Prospective longitudinal assessment of the white matter integrity in astronauts is needed to characterize the evolution of white matter microstructural changes associated with spaceflight, their behavioral consequences, and the time course of recovery. Supported by a grant from the National Space Biomedical Research Institute, NASA NCC 9-58.

Lee, Jessica K.↗
NASA NTRS1987

Analysis of kink band formation under compression

The kink band formation in unidirectional composites under compression is analyzed in the present paper. The kinematics of kink band formation is described in terms of a deformation tensor. Equilibrium conditions are then applied to relate the compression load to the deformation of fibers. Since the in situ shear behavior of the matrix resin is not known, an analysis-experiment correlation is used to find the shear failure strain in the kink band. The present analysis thus elucidates the mechanisms and identifies the controlling parameters, of compression failure.

Hahn, H. Thomas↗
DOE OSTI2023

Study of η(1405)/η(1475) in $J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ decay

Using a sample of (10 . 09 ± 0 . 04) × 10 9 J/ψ decays collected with the BESIII detector, partial wave analyses of the decay $ J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ are performed within the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass region below 1.6 GeV/ c 2 . The covariant tensor amplitude method is used in both mass independent and mass dependent approaches. Both analysis approaches exhibit dominant pseudoscalar and axial vector components, and show good consistency for the other individual components. Furthermore, the mass dependent analysis reveals that the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum for the pseudoscalar component can be well described with two isoscalar resonant states using relativistic Breit-Wigner model, i.e., the η (1405) with a mass of $1391.7\pm {0.7}_{-0.3}^{+11.3}$ MeV/ c 2 and a width of $60.8\pm {1.2}_{-12.0}^{+5.5}$ MeV, and the η (1475) with a mass of $1507.6\pm {1.6}_{-32.2}^{+15.5}$ MeV/ c 2 and a width of $115.8\pm {2.4}_{-10.9}^{+14.8}$ MeV. The first and second uncertainties are statistical and systematic, respectively. Alternate models for the pseudoscalar component are also tested, but the description of the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum deteriorates significantly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Chiral structures of electric polarization vectors quantified by X-ray resonant scattering

Resonant elastic X-ray scattering (REXS) offers a unique tool to investigate solid-state systems providing spatial knowledge from diffraction combined with electronic information through the enhanced absorption process, allowing the probing of magnetic, charge, spin, and orbital degrees of spatial order together with electronic structure. A new promising application of REXS is to elucidate the chiral structure of electrical polarization emergent in a ferroelectric oxide superlattice in which the polarization vectors in the REXS amplitude are implicitly described through an anisotropic tensor corresponding to the quadrupole moment. Here, we present a detailed theoretical framework and analysis to quantitatively analyze the experimental results of Ti L-edge REXS of a polar vortex array formed in a PbTiO 3 /SrTiO 3 superlattice. Based on this theoretical framework, REXS for polar chiral structures can become a useful tool similar to x-ray resonant magnetic scattering (XRMS), enabling a comprehensive study of both electric and magnetic REXS on the chiral structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Visualizing the SEI formation between lithium metal and solid-state electrolyte

The solid electrolyte interphase (SEI) is regarded as the most important factor affecting the durability of lithium-metal anode in all-solid-state batteries (ASSBs). Despite its significance, the nucleation and growth mechanism of SEI is not yet well understood. Here, we elucidate the thermodynamics and kinetics governing SEI formation at the Li|β-Li 3 PS 4 interface at the atomic scale via thermodynamic phase equilibrium analysis and machine-learning-potential-assisted molecular dynamics (MD) simulations. An accurate moment tensor potential using the machine-learning method is developed for a reactive model of Li|β-Li 3 PS 4 . This potential enabled us to perform large-scale MD simulations with the model size expanded to the experimental dimensions (~40 nm) while maintaining the same level of accuracy as density functional theory calculations. The results reveal a four-stage evolution process at the Li|β-Li 3 PS 4 interface, namely (i) fast ion diffusion, (ii) nucleation, (iii) Li 2 S growth, and (iv) stabilization. Notably, we demonstrate that the SEI can be categorized into crystalline and amorphous regions. The simulated SEI thickness, structure, and composition closely match experimental findings, validating the accuracy of the MD simulations. We further disclose the significant impact of ion diffusion kinetic limitations on the phase formation and crystallization of interfacial products. Furthermore, we shed light on the detailed potential energy (PE) distribution of lithium along the direction perpendicular to the interface. Finally, this information is crucial for better understanding interfacial ion mobility.

25 ENERGY STORAGE↗
DOE OSTI2024

Towards High-Performance AI4NP Applications on Modern GPU Platforms

The evolution of modern heterogeneous accelerators, such as GPUs, has significantly advanced the landscape of artificial intelligence (AI). There is a notable surge to adopt AI within the nuclear physics domain (AI4NP). While most AI4NP studies focus on feasibility analysis, our attention is directed towards evaluating their performance on contemporary GPUs that integrate tensor cores. We first benchmark the throughput of hyperparameterized multi-layer perceptron (MLP) models. We then examine the performance of an AI4NP application: Hydra. We assess the performance gain and accuracy loss caused by the tensor cores for low-precision floating-point operations. Our experiments encompass the PyTorch and TensorFlow Keras frameworks on NVIDIA’s T4 and A100 GPUs. We explore the behavior of different GPU hardware platforms and AI software tools. This study can be a valuable resource for guiding the performance optimization of larger-scale deployments of AI4NP applications.

Mei, Xinxin↗
DOE OSTI2025

Observation of an Axial-Vector State in the Study of the Decay ψ ( 3686 ) → ϕ η η ′

Using ( 2712.4 ± 14.3 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at BEPCII, a partial wave analysis of the decay ψ ( 3686 ) → ϕ η η ′ is performed with the covariant tensor approach. In addition to the established states h 1 ( 1900 ) and ϕ ( 2170 ) , an axial-vector state with a mass near 2.3 GeV / c 2 is observed for the first time. Its mass and width are measured to be 2316 ± 9 stat ± 3 0 syst MeV / c 2 and 89 ± 1 5 stat ± 2 6 syst MeV , respectively. The product branching fractions of B [ ψ ( 3686 ) → X ( 2300 ) η ′ ] B [ X ( 2300 ) → ϕ η ] and B [ ψ ( 3686 ) → X ( 2300 ) η ] B [ X ( 2300 ) → ϕ η ′ ] are determined to be ( 4.8 ± 1.3 stat ± 0.7 syst ) × 10 − 6 and ( 2.2 ± 0.7 stat ± 0.7 syst ) × 10 − 6 , respectively. The branching fraction B [ ψ ( 3686 ) → ϕ η η ′ ] is measured for the first time to be ( 3.14 ± 0.1 7 stat ± 0.2 4 syst ) × 10 − 5 . The first uncertainties are statistical and the second are systematic. Published by the American Physical Society 2025

Ablikim, M.↗
NASA NTRS1980

Application of the cubic polynomial strength criterion to the failure analysis of composite materials

A comparative failure analysis is presented based on the application of quadratic and cubic forms of the tensor polynomial lamina strength criterion to various composite structural configurations in a plane stress state. Failure loads have been predicted for off-angle laminates under simple loading conditions and for symmetric-balanced laminates subject to varying degrees of biaxial tension, including configurations subject to multimode failures. Some experimental data are also provided to support these calculations. From these results, the necessity of employing a cubic strength criterion to accurately predict the failure of composite laminae is demonstrated.

Tennyson, R. C.↗
NASA NTRS1984

Crack growth direction in unidirectional off-axis graphite epoxy

An anisotropic elasticity crack tip stress analysis is implemented using three crack extension direction criteria (the normal stress ratio, the tensor polynominal and the strain energy density) to predict the direction of crack extension in unidirectional off axis graphite-epoxy. The theoretical predictions of crack extension direction are then compared with experimental results for 15 deg off axis tensile coupons with center cracks. Specimens of various aspect ratios and crack orientations are analyzed. It is shown that only the normal stress ratio criterion predicts the correct direction of crack growth.

Herakovich, C. T.↗
NASA NTRS1985

Crack growth in unidirectional graphite-epoxy under biaxial loading

An anisotropic elasticity crack tip stress analysis is implemented using three crack extension direction criteria (the normal stress ratio, the tensor polynominal and the strain energy density) to predict the direction of crack extension in unidirectional of axis graphite-epoxy. The theoretical predictions of crack extension direction are then compared with experimental results for 15 deg off axis tensile coupons with center cracks. Specimens of various aspect ratios and crack orientations are analyzed. It is shown that only the normal stress ratio criterion predicts the correct direction of crack growth.

Beuth, J. L., Jr.↗