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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Response of the mode Grüneisen parameters with anisotropic compression: A pressure and temperature dependent Raman study of β-Sn

The lattice dynamic response of body-centered tetragonal beta-Sn (I4 1 /amd) under high-pressure and temperature conditions is determined using experimental optical vibration modes. Here, Raman scattering is used to map the phase stability region of beta-Sn to perform mode Gruneisen analysis, and we demonstrate the necessity of an optical intensity calibration for Raman thermometry. The Gruneisen tensor is evaluated along a set of isotherms to address shortcomings of single-mode Gruneisen parameters with respect to anisotropic deformations of this tetragonal structured soft metal. The changes observed here in the Gruneisen tensor as a function of temperature are related to anharmonicity and denote potential criteria for the onset of premelting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1979

Failure analysis of composite laminates with free edges

Linear elastic stress distributions obtained from a refined finite element mesh are used in conjunction with the tensor polynomial failure criterion to predict the initiation of failure in symmetric, finite-width graphite-epoxy laminates under tensile loading. Results are presented for a wide variety of laminates including: (+ and - theta)s angle-ply; cross-ply (0/90)s and (90/0)s; and quasi-isotropic (90/0/+ and - 45)s and (+ and -45/0/90)s. It is shown that the elastic stress distributions generally compare favorably with other published results, but also indicate improved satisfaction of the stress-free boundary conditions and indicate some differences in the singular behavior of selected stress components at the free edge. The tensor polynomial failure criterion is used to predict the location and mode of first failure. Examination of the individual terms of the polynomial indicates different modes of failure depending upon the laminate configuration.

Herakovich, C. T.↗
NASA NTRS1973

Time-delay test of general relativity and Earth-Mars ephemeris improvement from analysis of Mariner 9 tracking data

Because of the large systematic errors that accompany the conversion of spacecraft ranging data to equivalent Earth-Mars time delays, the corresponding determination of gamma does not now allow the predictions of general relativity to be distinguished from those of the Brans-Dicke scalar-tensor theory with the fraction s of scalar field admixture being 0.06. The uncertainty in the determination of (1 plus gamma)/2 at the present stage of the Mariner 9 data analysis is at about the 10% level. The ephemeris of Mars suffers from the same problem: Only with the elimination of a major fraction of the systematic errors affecting the Mariner 9 pseudo observables will a truly substantial improvement be possible in the determination of the orbit.

Shapiro, I. I.↗
DOE OSTI2024

Null Raychaudhuri: canonical structure and the dressing time

Abstract We initiate a study of gravity focusing on generic null hypersurfaces, non-perturbatively in the Newton coupling. We present an off-shell account of the extended phase space of the theory, which includes the expected spin-2 data as well as spin-0, spin-1 and arbitrary matter degrees of freedom. We construct the charges and the corresponding kinematic Poisson brackets, employing a Beltrami parameterization of the spin-2 modes. We explicitly show that the constraint algebra closes, the details of which depend on the non-perturbative mixing between spin-0 and spin-2 modes. Finally we show that the spin zero sector encodes a notion of a clock, called dressing time, which is dynamical and conjugate to the constraint. It is well-known that the null Raychaudhuri equation describes how the geometric data of a null hypersurface evolve in null time in response to gravitational radiation and external matter. Our analysis leads to three complementary viewpoints on this equation. First, it can be understood as a Carrollian stress tensor conservation equation. Second, we construct spin-0, spin-2 and matter stress tensors that act as generators of null time reparametrizations for each sector. This leads to the perspective that the null Raychaudhuri equation can be understood as imposing that the sum of CFT-like stress tensors vanishes. Third, we solve the Raychaudhuri constraint non-perturbatively. The solution relates the dressing time to the spin-2 and matter boost charge operators. Finally we establish that the corner charge corresponding to the boost operator in the dressing time frame is monotonic. These results show that the notion of an observer can be thought of as emerging from the gravitational degrees of freedom themselves. We briefly mention that the construction offers new insights into focusing conjectures.

Physics↗
DOE OSTI2020

Electronic Structure of the Primary Electron Donor P 700 +• in Photosystem I Studied by Multifrequency HYSCORE Spectroscopy at X- and Q-Band

The primary electron donor P 700 of the photosystem I ( PS I) is a heterodimer consisting of two chlorophyll molecules. A series of electron-transfer events immediately following the initial light excitation leads to a stabilization of the positive charge by its cation radical form, P 700 +• . Here, the electronic structure of P 700 +• and, in particular, its asymmetry with respect to the two chlorophyll monomers is of fundamental interest and is not fully understood up to this date. Here, we apply multifrequency X- (9 GHz) and Q-band (35 GHz) hyperfine sublevel correlation (HYSCORE) spectroscopy to investigate the electron spin density distribution in the cation radical P 700 +• of PS I from a thermophilic cyanobacterium Thermosynechococcus elongatus . Six 14 N and two 1 H distinct nuclei have been resolved in the HYSCORE spectra and parameters of the corresponding nuclear hyperfine and quadrupolar hyperfine interactions were obtained by combining the analysis of HYSCORE spectral features with direct numerical simulations. Based on a close similarity of the nuclear quadrupole tensor parameters, all of the resolved 14 N nuclei were assigned to six out of total eight available pyrrole ring nitrogen atoms (i.e., four in each of the chlorophylls), providing direct evidence of spin density delocalization over the both monomers in the heterodimer. Using the obtained experimental values of the 14 N electron-nuclear hyperfine interaction parameters, the upper limit of the electron spin density asymmetry parameter is estimated as R A/B upper = 7.7 ± 0.5, while a tentative assignment of 14 N observed in the HYSCORE spectra yields R B/A = 3.1 ± 0.5.

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

Viscoelastic relaxation and topological fluctuations in glass-forming liquids

In this study, a method for characterizing the topological fluctuations in liquids is proposed. This approach exploits the concept of the weighted gyration tensor of a collection of particles and permits the definition of a local configurational unit (LCU). The first principal axis of the gyration tensor serves as the director of the LCU, which can be tracked and analyzed by molecular dynamics simulations. Analysis of moderately supercooled Kob–Andersen mixtures suggests that orientational relaxation of the LCU closely follows viscoelastic relaxation and exhibits a two-stage behavior. The slow relaxing component of the LCU corresponds to the structural, Maxwellian mechanical relaxation. Additionally, it is found that the mean curvature of the LCUs is approximately zero at the Maxwell relaxation time with the Gaussian curvature being negative. This observation implies that structural relaxation occurs when the configurationally stable and destabilized regions interpenetrate each other in a bicontinuous manner. Finally, the mean and Gaussian curvatures of the LCUs can serve as reduced variables for the shear stress correlation, providing a compelling proof of the close connection between viscoelastic relaxation and topological fluctuations in glass-forming liquids.

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

Gravitational memory and compact extra dimensions

Here we develop a general formalism for treating radiative degrees of freedom near $\mathscr{I}^+$ in theories with an arbitrary Ricci-flat internal space. These radiative modes are encoded in a generalized news tensor which decomposes into gravitational, electromagnetic, and scalar components. We find a preferred gauge which simplifies the asymptotic analysis of the full nonlinear Einstein equations and makes the asymptotic symmetry group transparent. This asymptotic symmetry group extends the Bondi–Metzner–Sachs (BMS) group to include angle-dependent isometries of the internal space. We apply this formalism to study memory effects, which are expected to be observed in future experiments, that arise from bursts of higher-dimensional gravitational radiation. We outline how measurements made by gravitational wave observatories might probe properties of the compact extra dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Complex deuteron NMR signals

To determine the spin polarization of deuterons, nuclear magnetic resonance (NMR) is used. This is necessary for polarized targets, such as for the upcoming A zz and b 1 experiment at Jefferson Lab. NMR measures the impedance of a solenoid around a deuterated sample. Although the impedance is a complex value, conventionally only the real part of the impedance has been used for this purpose. However, often the tune is not precisely real, meaning the signal has at least some small imaginary portion. This conventionally has been dealt with by an offset parameter, such as Dulya’s false asymmetry method. For vector polarization, this suffices, as the tuning is factored into the overall error of the results, and for a small phase angle doesn’t make much of a difference. However, for tensor polarization, the exact lineshape of the signal is quite significant, and treating the impedance as complex during analysis removes the need for an offset parameter. As a result, it also provides more accurate results, as the conventional false asymmetry method over- or underestimates polarization, depending on the sign of the phase angle.

McClellan, Michael [University of New Hampshire, D↗
NASA NTRS1986

A general, gauge-invariant analysis of the cosmic microwave anisotropy

A general, gauge-invariant analysis of the large-scale anisotropies in the cosmic background radiation produced by arbitrary scalar, vector, or tensor perturbations in open, closed, or flat Robertson-Walker spacetimes (with no cosmological constant) is presented. The multipole moment predictions for the scale invariant spectrum and Omega = 1 universe predicted by inflationary cosmologies are contrasted with those for other spectra and for open and closed universes. Using the measured value of the dipole moment, limits are set on the expected value of the quadrupole moment as a function of Omega for various spectra.

Abbott, L. F.↗
DOE OSTI2023

A high-resolution large-eddy simulation framework for wildland fire predictions using TensorFlow

Background: Wildfires are becoming more severe, so we need improved tools to predict them over a wide range of conditions and scales. One approach towards this goal entails the use of coupled fire/atmosphere modelling tools. Although significant progress has been made in advancing their physical fidelity, existing tools have not taken full advantage of emerging programming paradigms and computing architectures to enable high-resolution wildfire simulations. Aims: The aim of this study was to present a new framework that enables landscape-scale wildfire simulations with physical representation of combustion at an affordable cost. Methods: We developed a coupled fire/atmosphere simulation framework using TensorFlow, which enables efficient and scalable computations on Tensor Processing Units. Key Results: Simulation results for a prescribed fire were compared with experimental data. Predicted fire behavior and statistical analysis for fire spread rate, scar area, and intermittency showed overall reasonable agreement. Scalability analysis was performed, showing close to linear scaling. Conclusions: While mesh refinement was shown to have less impact on global quantities, such as fire scar area and spread rate, it benefits predictions of intermittent fire behavior, buoyancy-driven dynamics, and small-scale turbulent motion. Implications: This new simulation framework is efficient in capturing both global quantities and unsteady dynamics of wildfires at high spatial resolutions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Resonant Ultrasonic Spectroscopy: A Modal-Analysis Approach for Additive Manufacturing

Resonant ultrasonic spectroscopy is a methodology capable of measuring a change in modal resonant frequencies of material structures. It encompasses an inversion technique based on the eigen-frequencies of a simple regular sample geometry to estimate the elastic tensor of a solid. Obtaining an accurate and complete set of resonant frequencies is a critical first step in the RUS process. In this paper a variety of techniques to extract and validate material resonances from complicated RUS measurement spectra are developed. Various processing methodologies employing modal analysis techniques are applied to estimate the underlying resonances that lead to the extraction of the elastic coefficients characterizing the specimen under test. A case study of a simple isotropic material (304 SS) is investigated to analyze the algorithms and evaluate their performance

Coal, lignite, and peat↗
NASA NTRS1978

Development of a three-dimensional turbulent duct flow analysis

A method for computing three-dimensional turbulent subsonic flow in curved ducts is described. An approximate set of governing equations is given for viscous flows which have a primary flow direction. The derivation is coordinate invariant, and the resulting equations are expressed in terms of tensors. General tube-like coordinates were developed for a general class of geometries applicable to many internal flow problems. The coordinates are then particularized to pipes having superelliptic cross sections whose shape can vary continuously between a circle and a near rectangle. The analysis is applied to a series of relevant aerodynamic problems including transition from nearly square to round pipes and flow through a pipe with an S-shaped bend.

Eiseman, P. R.↗
DOE OSTI2022

Relativistic Density Functional NMR Tensors Analyzed with Spin–free Localized Molecular Orbitals

The implementation of fast relativistic methods based on density functional theory, in conjunction with localized molecular orbital (LMO) based analysis, allows straightforward interpretations of NMR parameters in terms of contributions from core shells, lone pairs, and bonds, for compounds containing elements from across the periodic table. We present a conceptual review of a frequently used LMO analysis of NMR parameters calculated in the presence of spin-orbit interactions and other relativistic effects. An accompanying example focuses on the 15 N shielding in a heavy metal complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Short-range magnetic order and planar anisotropy in the topological ferrimagnet Mn 3 ⁢Si 2 ⁢Te 6

Mn 3 ⁢Si 2 ⁢Te 6 is a ferrimagnetic topological nodal-line semiconductor that exhibits unconventional colossal magnetoresistance behavior, with short-range spin fluctuations being potentially intimately linked to the emergent properties. Here we determine the short-range magnetic order and anisotropy through total neutron scattering and polarized neutron powder diffraction measurements on polycrystalline Mn 3 ⁢Si 2⁢ Te 6 . Strong in-plane anisotropy is quantified on the Mn ions through extraction of the local site susceptibility tensor. Here, the real-space local spin structure is determined through the application of magnetic pair distribution function analysis covering a wide temperature range. Short-range order over a locally frustrated trimer of three nearest neighbors is found to exist well above the long-range ferrimagnetic transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Machine learning inversion from scattering for mechanically driven polymers

A machine learning inversion method is developed for analyzing scattering functions of mechanically driven polymers and extracting the corresponding feature parameters, which include energy parameters and conformation variables. The polymer is modeled as a chain of fixed-length bonds constrained by bending energy, and it is subject to external forces such as stretching and shear. We generate a data set consisting of random combinations of energy parameters, including bending modulus, stretching and shear force, along with Monte Carlo-calculated scattering functions and conformation variables such as end-to-end distance, radius of gyration and off-diagonal component of the gyration tensor. The effects of the energy parameters on the polymer are captured by the scattering function, and principal component analysis ensures the feasibility of the machine learning inversion. Finally, we train a Gaussian process regressor using part of the data set as a training set and validate the trained regressor for inversion using the rest of the data. The regressor successfully extracts the feature parameters.

Gaussian process regressors↗
DOE OSTI2024

Tensor Extraction of Latent Features (TELF)

Tensor ELF is a user-friendly parallel tensor decomposition Python toolbox that includes a suite of machine learning algorithms for CPU and GPU architectures for the analysis of sparse and dense data including utility tools for pre-processing and post-processing.

Eren, Maksim↗
NASA NTRS1981

Structure of correlation tensors in homogeneous anisotropic turbulence

The theory of isotropic tensors, developed by Robertson (1940), Batchelor (1946), and Chandrasekhar (1951), is extended to cover the general case of turbulence with a pseudo-vector-preferred direction, without assuming mirror-reflection invariance. Attention is focused on two-point-correlation functions, and it is shown that the form of the decomposition into proper and pseudo-tensor contributions is restricted by the homogeneity requirement. The somewhat unexpected result that the vector- and pseudo-vector-preferred-direction cases yield different results is presented: A pseudo-vector-preferred direction allows the correlation matrix one more functional degree of freedom than does the proper vector case. An explicit form of the two-point-correlation tensor in the presence of a uniform mean magnetic field is presented which may be appropriate for use in analysis of magnetic fluctuations in plasma containment devices or the interplanetary medium. A procedure for determining the magnetic helicity from experimental data is presented.

Matthaeus, W. H.↗
NASA NTRS1989

Rectangular subsonic jet flow field measurements

Flow field measurements are presented of 3 subsonic rectangular cold air jets. The 3 cases presented had aspect ratios of 1 x 2, 1 x 4 at a Mach number of 0.09 and an aspect ratio of 1 x 2 at a Mach number of 0.9. All measurements were made using a 3-D laser Doppler anemoneter system. The presented data includes the mean velocity vector, all Reynolds stress tensor components, turbulent kinetic energy and velocity correlation coefficients. The data is presented in tabular and graphical form. No analysis of the measured data or comparison to other published data is made. All tabular data are available in ASCII format on MS-DOS compatible disks.

Morrison, Gerald L.↗