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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Interactive color graphical postprocessing as a unifying influence in numerical analysis research

The general capabilities and the hardware environment of an interactive color graphical postprocessor for three-dimensional numerical analysis are described as well as the synergistic influence of this aspect of interactive graphics on the research environment. Areas of practical concern include finite element analysis, fracture propagation, surface and framed structures. The interactive color graphical postprocessor, POSTPRO3D, is capable of displaying the scalar, vector, and tensor results of finite difference, finite element, and boundary element analysis. In the case of fatigue cracking in steel crane-rail girders, it was shown that POSTPRO3D offers a high level of flexibility, interactivity and features which minimize response time.

Abel, J. F.↗
DOE OSTI2023

Small- x factorization from effective field theory

We derive a factorization theorem that allows for resummation of small-x logarithms by exploiting Glauber operators in the soft collinear effective field theory. Our analysis is carried out for the hadronic tensor W μν in deep inelastic scattering, and leads to the definition of a new gauge invariant soft function S μν that describes quark and gluon emission in the central region. This soft function provides a new framework for extending resummed calculations for coefficient functions to higher logarithmic orders. Our factorization also defines impact factors by universal collinear functions that are process independent, for instance being identical in small-x DIS and Drell-Yan.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys

The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Further, upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

The influence of elastic strains on the adsorption of H, O, and OH on the (111) surfaces of 8 fcc (Ni, Cu, Pd, Ag, Pt, Au, Rh, Ir) and on the (0001) surfaces of 3 hcp (Co, Zn, Cd) transition metals was analyzed by means of density functional theory calculations. To this end, surface slabs were subjected to different strain states (uniaxial, biaxial, shear, and a combination of them) up to strains dictated by the mechanical stability limits indicated by phonon calculations. It was found that the adsorption energy followed the predictions of the d-band theory but – surprisingly – the variations in the adsorption energy only depended on the area of the adsorption hole and not on the particular elastic strain tensor applied to achieve this area. The analysis of the electronic structure showed that the applied strains did not modify the shape of the Projected Density of States (PDOS) of the d-orbitals of the transition metals but only led to a shift in the energy levels. Moreover, the presence of the adsorbates on the surfaces led to negligible changes in the PDOS. Thus, the adsorption energies were a function of the Fermi energy which in turn was associated with the change of the area of the adsorption through a general linear law that was valid for all metals. Furthermore, the information in this paper allows the immediate and accurate estimation of the effect of any elastic strain on the adsorption energies of H, O, and OH in 11 transition metals with more than half-filled d-orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Energy and momentum flow in electromagnetic fields and plasma

The energy momentum tensor for a perfect fluid in a magnetic field is used to predict the momentum density, energy density, momentum flow, and energy flow of the fluid and the electromagnetic field. It is shown that taking the momentum flow from the energy momentum tensor, rather than starting with differential magnetohydrodynamic equations, can produce more accurate results on the basis of magnetic field data. It is suggested that the use of the energy momentum tensor has the potential for application to analysis of data from the more dynamic regions of the solar system, such as the plasma boundaries of Venus, the Jovian ionosphere, and the terrestrial magnetopause.

Parish, J. L.↗
NASA NTRS1984

Development of failure criterion for Kevlar-epoxy fabric laminates

The development of the tensor polynomial failure criterion for composite laminate analysis is discussed. In particular, emphasis is given to the fabrication and testing of Kevlar-49 fabric (Style 285)/Narmco 5208 Epoxy. The quadratic-failure criterion with F(12)=0 provides accurate estimates of failure stresses for the Kevlar/Epoxy investigated. The cubic failure criterion was re-cast into an operationally easier form, providing the engineer with design curves that can be applied to laminates fabricated from unidirectional prepregs. In the form presented no interaction strength tests are required, although recourse to the quadratic model and the principal strength parameters is necessary. However, insufficient test data exists at present to generalize this approach for all undirectional prepregs and its use must be restricted to the generic materials investigated to-date.

Tennyson, R. C.↗
NASA NTRS1985

Evaluation of failure criterion for graphite/epoxy fabric laminates

The development and application of the tensor polynomial failure criterion for composite laminate analysis is described. Emphasis is given to the fabrication and testing of Narmco Rigidite 5208-WT300, a plain weave fabric of Thornel 300 Graphite fibers impregnated with Narmco 5208 Resin. The quadratic-failure criterion with F sub 12=0 provides accurate estimates of failure stresses for the graphite/epoxy investigated. The cubic failure criterion was recast into an operationally easier form, providing design curves that can be applied to laminates fabricated from orthotropic woven fabric prepregs. In the form presented, no interaction strength tests are required, although recourse to the quadratic model and the principal strength parameters is necessary. However, insufficient test data exist at present to generalize this approach for all prepreg constructions, and its use must be restricted to the generic materials and configurations investigated to date.

Tennyson, R. C.↗
DOE OSTI2024

Transversity Distributions and Tensor Charges of the Nucleon: Extraction from Dihadron Production and Their Universal Nature

We perform the first global quantum chromodynamics (QCD) analysis of dihadron production for a comprehensive set of data in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, from which we extract simultaneously the transversity distributions of the nucleon and π + π − dihadron fragmentation functions. We incorporate in our fits known theoretical constraints on transversity, namely, its small- x asymptotic behavior and the Soffer bound. We furthermore show that lattice-QCD results for the tensor charges can be successfully included in the analysis. This resolves the previously reported incompatibility between the tensor charges extracted from dihadron production data and lattice QCD. We also find agreement with results for the transversity and tensor charges obtained from measurements on single-hadron production. Overall, our work demonstrates for the first time the universal nature of all available information for the transversity distributions and the tensor charges of the nucleon. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

On fracture of fibrous composites

The problem of an existing through-the-thickness center notch in a unidirectional fibrous composite is investigated using a homogeneous anisotropic elasticity analysis in conjunction with various crack growth criteria. Tensor polynomial, strain energy density, and normal stress ratio criteria are applied as crack growth direction criteria and compared to experimental observations. For the cases and criteria studied, only the normal stress ratio criterion exhibits an ability to correctly predict crack growth direction. The normal stress ratio criterion is subsequently applied to the same cases as a failure criterion. Comparison with experiment indicates that these predictions exhibit reasonable correlation with observed critical stresses. Finally, the macroscopic approach to the problem used in this study is compared to a microscopic shear lag analysis of experimental results in the literature. The comparison indicates that both approaches yield essentially identical predictions. The comparisons made with other criteria and approaches indicate that application of the normal stress ratio within a macroscopic level analysis has great potential as an approach to modeling composite crack growth.

Beuth, J. L., Jr.↗
DOE OSTI2022

Analytic error analysis of cross section interpolation methods in nodal diffusion codes - I : Theory

This paper discusses two cross section interpolation methods commonly found in popular nodal codes; the partial derivatives and multiple tables models. The motivation for choosing a model, and thus a case matrix structure, is a trade off between accuracy and computational cost. Due to decades of experience, there are default structures that are sufficient for current light water reactor analysis. However, this is not necessarily the case for advanced reactor designs. Therefore, it is advantageous to understand the sources of error in cross section interpolation models so that the quality of a case matrix may be improved. A mathematical framework for these models is presented in this work that provides a more rigorous connection between the nuclear engineering field's cross section interpolation methods and the broader mathematical field of function approximation. The two cross section models examined in this paper were found to utilize Lagrange interpolation and are a subset of Lagrange tensor products. Classical results of Lagrange polynomial error analysis were then applied to the partial derivative and multiple tables models to derive expressions for the total point-wise error. The analytical results classify the total error into two parts: the model form error and interpolation error. Finally, based on our observations, a better foundation for improving the quality of a case matrix is proposed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1992

Visualization of second order tensor fields and matrix data

We present a study of the visualization of 3-D second order tensor fields and matrix data. The general problem of visualizing unsymmetric real or complex Hermitian second order tensor fields can be reduced to the simultaneous visualization of a real and symmetric second order tensor field and a real vector field. As opposed to the discrete iconic techniques commonly used in multivariate data visualization, the emphasis is on exploiting the mathematical properties of tensor fields in order to facilitate their visualization and to produce a continuous representation of the data. We focus on interactively sensing and exploring real and symmetric second order tensor data by generalizing the vector notion of streamline to the tensor concept of hyperstreamline. We stress the importance of a structural analysis of the data field analogous to the techniques of vector field topology extraction in order to obtain a unique and objective representation of second order tensor fields.

Delmarcelle, Thierry↗
DOE OSTI2024

Communication Lower Bounds and Optimal Algorithms for Multiple Tensor-Times-Matrix Computation

Multiple tensor-times-matrix (Multi-TTM) is a key computation in algorithms for computing and operating with the Tucker tensor decomposition, which is frequently used in multidimensional data analysis. Here, we establish communication lower bounds that determine how much data movement is required (under mild conditions) to perform the Multi-TTM computation in parallel. The crux of the proof relies on analytically solving a constrained, nonlinear optimization problem. We also present a parallel algorithm to perform this computation that organizes the processors into a logical grid with twice as many modes as the input tensor. We show that, with correct choices of grid dimensions, the communication cost of the algorithm attains the lower bounds and is therefore communication optimal. Finally, we show that our algorithm can significantly reduce communication compared to the straightforward approach of expressing the computation as a sequence of tensor-times-matrix operations when the input and output tensors vary greatly in size.

HBL-inequalities↗
DOE OSTI2020

Generalized Canonical Polyadic Tensor Decomposition

Tensor decomposition is a fundamental unsupervised machine learning method in data science, with applications including network analysis and sensor data processing. This work develops a generalized canonical polyadic (GCP) low-rank tensor decomposition that allows other loss functions besides squared error. For instance, we can use logistic loss or Kullback--Leibler divergence, enabling tensor decomposition for binary or count data. We present a variety of statistically motivated loss functions for various scenarios. We provide a generalized framework for computing gradients and handling missing data that enables the use of standard optimization methods for fitting the model. Furthermore, we demonstrate the flexibility of the GCP decomposition on several real-world examples including interactions in a social network, neural activity in a mouse, and monthly rainfall measurements in India.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Probing the Electronic Structure of a Thorium Nitride Complex by Solid-State 15N NMR Spectroscopy

The solid-state 15N NMR powder spectra of the thorium nitride complex, [K(18-crown-6)(THF)2][(R2N)3Th(m-15N)(Th(NR2)3] ([K][1-15N], R = SiMe3), and the thorium amide complex, [Th(NR2)3(15NH2)] (2-15N) were recorded. The spectrum for [K][1-15N] represents the first reported solid-state 15N NMR data for an actinide nitride complex. The experimentally measured tensor spans are 847 ppm for [K][1-15N] and 237 ppm for 2-15N. Both shielding tensors exhibit a near-zero asymmetry parameter, which for [K][1-15N] is consistent with a local rotational symmetry of its 15N-labelled nitride ligand. For 2-15N, the lack of asymmetry can be rationalized by a quasi-free Th-NH2 bond rotation in the solid-state. DFT calculations overestimate the tensor span somewhat for [K][1-15N], but provide isotropic shifts in good agreement with both the solid-state and solution values for both complexes. Natural localized molecular orbital (NLMO) analyses of the nuclear shielding reveal that the larger tensor span in [K][1-15N] vs. 2-15N is primarily a consequence of more pronounced covalency of the N-Th bonds, and large spin-orbit coupling due to significant Th 5f orbital contribution to those bonds, impacting the principal components of the shielding tensor perpendicular to the Th-N-Th axis. Overall, our analysis confirms the involvement of the 5f orbitals in Th-N multiple bonds, and further demonstrates the value of solid-state NMR spectroscopy for interrogating actinide-ligand bonding.

actinides, covalent bonding, Nuclear Magnetic Reso↗
DOE OSTI2022

Combining translational and rotational seismic motions to invert local-scale seismic data for time-variable moment tensors: do rotational motions help for high-frequency seismic data produced by underground explosions?

SUMMARY We present an analysis of combining translational and rotational seismic data in an inversion for the time-variable source time functions corresponding to the components of the seismic moment tensor. We conduct a series of numerical experiments where the data are simulated by a combination of an underground explosion and a co-located double couple shear source and recorded on surface-mounted seismometers within 1–2 km of the source. The experiments are designed to mimic explosion seismology experiments, and thus the data are in the 1–10 Hz frequency range and contain very few surface waves. We use a Monte Carlo method to propagate Earth model uncertainty into the estimates of seismic source parameters. In our experiments, we find that the uncertainty of the estimated seismic source parameters increases when we add rotational seismic motions to the inversion when using a constant number of data channels. In this case, the increased degree of uncertainty in the final results is most likely due to the near-surface Earth model uncertainty that we introduce in our simulations. However, for a fixed number of seismic stations, adding rotational seismic motions to the inversion acts to decrease the uncertainty of the estimated seismic source parameters, most likely due to the increase in the number of data channels used in the inversion.

Poppeliers, Christian (ORCID:0000000159526849)↗
DOE OSTI2024

Accelerated Constrained Sparse Tensor Factorization on Massively Parallel Architectures

This study presents the first constrained sparse tensor factorization (cSTF) framework that optimizes and fully offloads computation to massively parallel GPU architectures, and the first performance characterization of cSTF on GPU architectures. In contrast to prior work on tensor factorization, where the matricized tensor times Khatri-Rao product (MTTKRP) is the primary performance bottleneck, our systematic analysis of the cSTF algorithm on GPUs reveals that adding constraints creates an additional bottleneck in the update operation for many real-world sparse tensors. While executing the update operation on the GPU brings significant speedup over its CPU counterpart, it remains a significant bottleneck. To further accelerate the update operation, we propose cuADMM, a new update algorithm that leverages algorithmic and code optimization strategies to minimize both computation and data movement on GPUs. As a result, our framework delivers significantly improved performance compared to prior state-of-the-art. On 10 real-world sparse tensors, our framework achieves geometric mean speedup of 5.1 × (max 41.59 ×) and 7.01 × (max 58.05 ×) on the NIVIDA A100 and H100 GPUs, respectively, over the state-of-the-art SPLATT library running on a 26-core Intel Ice Lake Xeon CPU.

Soh, Yongseok↗
DOE OSTI2022

Classification of (2 + 1) D invertible fermionic topological phases with symmetry

Here we provide a classification of invertible topological phases of interacting fermions with symmetry in two spatial dimensions for general fermionic symmetry groups G f and general values of the chiral central charge c - . Here G f is a central extension of a bosonic symmetry group G b by fermion parity, (-1) F , specified by a second cohomology class [ω 2 ]∈ $\mathscr{H}^2$(Gb,$\mathbb{Z}_2$). Our approach proceeds by gauging fermion parity and classifying the resulting G b symmetry-enriched topological orders while keeping track of certain additional data and constraints. We perform this analysis through two perspectives, using G-crossed braided tensor categories and Spin(2c - ) 1 Chern-Simons theory coupled to a background G gauge field. These results give a way to characterize and classify invertible fermionic topological phases in terms of a concrete set of data and consistency equations, which is more physically transparent and computationally simpler than the more abstract methods using cobordism theory and spectral sequences. Our results also generalize and provide a different approach to the recent classification of fermionic symmetry-protected topological phases by Wang and Gu, which have chiral central charge c - = 0. We show how the tenfold way classification of topological insulators and superconductors fits into our scheme, along with general nonperturbative constraints due to certain choices of c - and G f . Mathematically, our results also suggest an explicit general parametrization of deformation classes of (2 + 1)D invertible topological quantum field theories with G f symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Updated QCD global analysis of single transverse-spin asymmetries: Extracting $\tilde{H}$, and the role of the Soffer bound and lattice QCD

Here, we present an update to the QCD global analysis of single transverse-spin asymmetries presented in [J. Cammarota et al. (Jefferson Lab Angular Momentum Collaboration), Phys. Rev. D 102, 054002 (2020).] (JAM3D-20). JAM3D-20 simultaneously included transverse momentum dependent and collinear twist-3 observables, both of which are sensitive to quark-gluon-quark correlations in hadrons. In this study we extract for the first time the twist-3 chiral odd fragmentation function $\tilde{H}$ by incorporating the sin φ s modulation data from semi-inclusive deep-inelastic scattering along with its contribution to the single transverse-spin asymmetry in pion production from proton-proton collisions. We also explore the impact of lattice QCD tensor charge calculations and the Soffer bound on our global analysis. We find that both constraints can be accommodated within our results, with $\tilde{H}$ playing a key role in maintaining agreement with the data from proton-proton collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗