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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Multi-threaded Sparse Matrix Sparse Matrix Multiplication for Many-Core and GPU Architectures.

Sparse Matrix-Matrix multiplication is a key kernel that has applications in several domains such as scientific computing and graph analysis. Several algorithms have been studied in the past for this foundational kernel. In this paper, we develop parallel algorithms for sparse matrix- matrix multiplication with a focus on performance portability across different high performance computing architectures. The performance of these algorithms depend on the data structures used in them. We compare different types of accumulators in these algorithms and demonstrate the performance difference between these data structures. Furthermore, we develop a meta-algorithm, kkSpGEMM, to choose the right algorithm and data structure based on the characteristics of the problem. We show performance comparisons on three architectures and demonstrate the need for the community to develop two phase sparse matrix-matrix multiplication implementations for efficient reuse of the data structures involved.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Integrin nanoclusters can bridge thin matrix fibres to form cell–matrix adhesions

Integrin-mediated cell-matrix adhesions are key to sensing the geometry and rigidity of extracellular environments and influence vital cellular processes. In vivo, the extracellular matrix is composed of fibrous arrays. To understand the fibre geometries that are required for adhesion formation, we patterned nanolines of various line widths and arrangements in single, crossing or paired arrays with the integrin-binding peptide Arg-Gly-Asp. Single thin lines (width ≤ 30 nm) did not support cell spreading or formation of focal adhesions, despite the presence of a high density of Arg-Gly-Asp, but wide lines (>40 nm) did. Using super-resolution microscopy, we observed stable, dense integrin clusters formed on parallel (within 110 nm) or crossing thin lines (mimicking a matrix mesh) similar to those on continuous substrates. These dense clusters bridged the line pairs by recruiting activated but unliganded integrins, as verified by integrin mutants unable to bind ligands that coclustered with ligand-bound integrins when present in an active extended conformation. Furthermore, in a fibrous extracellular matrix mesh, stable integrin nano-clusters bridge between thin (≤ 30 nm) matrix fibres and bring about downstream consequences of cell motility and growth.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Mechanical behaviors of ceramic matrix composites with matrix cracking and fiber debonding

The purpose of this paper is to summarize the current research of the authors on the mechanical behaviors of ceramic matrix composites, including (1) the stress distributions in a composite with matrix cracking and interfacial debonding, (2) the critical strain for matrix cracking, and (3) the effects of fiber/matrix debonding and thermal residual stresses on the critical strain. The stress fields in both bonded and debonded regions are evaluated by taking into account thermal effects. An energy balance approach is followed to determine the critical strain for matrix cracking. From the general equation of the critical strain for matrix cracking, close form solutions have been obtained for two limiting cases: perfect bonding and complete debonding. Numerical solutions are given for the cases of partial fiber debonding and nonzero debonding energy. It is found that thermal residual stresses and the debonding energy have significant effects on the critical strain.

Kuo, Wen-Shyong↗
NASA NTRS1998

High Strain Rate Deformation Modeling of a Polymer Matrix Composite: Matrix Constitutive Equations - Part 1

Recently applications have exposed polymer matrix composite materials to very high strain rate loading conditions, requiring an ability to understand and predict the material behavior under these extreme conditions. In this first paper of a two part report, background information is presented, along with the constitutive equations which will be used to model the rate dependent nonlinear deformation response of the polymer matrix. Strain rate dependent inelastic constitutive models which were originally developed to model the viscoplastic deformation of metals have been adapted to model the nonlinear viscoelastic deformation of polymers. The modified equations were correlated by analyzing the tensile/ compressive response of both 977-2 toughened epoxy matrix and PEEK thermoplastic matrix over a variety of strain rates. For the cases examined, the modified constitutive equations appear to do an adequate job of modeling the polymer deformation response. A second follow-up paper will describe the implementation of the polymer deformation model into a composite micromechanical model, to allow for the modeling of the nonlinear, rate dependent deformation response of polymer matrix composites.

Goldberg, Robert K.↗
DOE OSTI2019

Ceramic matrix composite component and process of producing a ceramic matrix composite component

A process of producing a ceramic matrix composite component. The process includes positioning core plies on a mandrel. At least partially rigidizing the core plies to form a preform ceramic matrix composite arrangement defining a tip cavity and a hollow region. Ceramic matrix composite tip plies are positioned on the preform ceramic matrix composite arrangement and within the tip cavity. The ceramic matrix composite tip plies are densified to form a tip region of the composite component.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix

It is pointed out that the classical phase space distribution in action-angle (a-a) variables obtained from a Wigner function depends on how the calculation is carried out: if one computes the standard Wigner function in Cartesian variables (p, x), and then replaces p and x by their expressions in terms of a-a variables, one obtains a different result than if the Wigner function is computed directly in terms of the a-a variables. Furthermore, the latter procedure gives a result more consistent with classical and semiclassical theory—e.g., by incorporating the Bohr-Sommerfeld quantization condition (quantum states defined by integer values of the action variable) as well as the Heisenberg correspondence principle for matrix elements of an operator between such states—and has also been shown to be more accurate when applied to electronically non-adiabatic applications as implemented within the recently developed symmetrical quasi-classical (SQC) Meyer-Miller (MM) approach. Moreover, use of the Wigner function (obtained directly) in a-a variables shows how our standard SQC/MM approach can be used to obtain off-diagonal elements of the electronic density matrix by processing in a different way the same set of trajectories already used (in the SQC/MM methodology) to obtain the diagonal elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Performance optimization, modeling and analysis of sparse matrix-matrix products on multi-core and many-core processors

Sparse matrix-matrix multiplication (SpGEMM) is a computational primitive that is widely used in areas ranging from traditional numerical applications to recent big data analysis and machine learning. Although many SpGEMM algorithms have been proposed, hardware specific optimizations for multi- and many-core processors are lacking and a detailed analysis of their performance under various use cases and matrices is not available. In this work, we firstly identify and mitigate multiple bottlenecks with memory management and thread scheduling on Intel Xeon Phi (Knights Landing or KNL). Specifically targeting many-core processors, we develop a hash-table-based algorithm and optimize a heap-based shared-memory SpGEMM algorithm. We examine their performance together with other publicly available codes. Different from the literature, our evaluation also includes use cases that are representative of real graph algorithms, such as multi-source breadth-first search or triangle counting. Our hash-table and heap-based algorithms are showing significant speedups from libraries in the majority of the cases while different algorithms dominate the other scenarios with different matrix size, sparsity, compression factor and operation type. We wrap up in-depth evaluation results and make a recipe to give the best SpGEMM algorithm for target scenario. We build the performance model for hash-table and heap-based algorithms, which supports the recipe. A critical finding is that hash-table-based SpGEMM gets a significant performance boost if the nonzeros are not required to be sorted within each row of the output matrix. Finally, we integrate our implementations into a large-scale protein clustering code named HipMCL, accelerating its SpGEMM kernel by up to 10X and achieving an overall performance boost for the whole HipMCL application by 2.6X.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Baryon number violation: from nuclear matrix elements to BSM physics

Processes that violate baryon number, most notably proton decay and $n\bar{n}$ transitions, are promising probes of physics beyond the Standard Model (BSM) needed to understand the lack of antimatter in the Universe. To interpret current and forthcoming experimental limits, theory input from nuclear matrix elements to UV complete models enters. Thus, an interplay of experiment, effective field theory, lattice QCD, and BSM model building is required to develop strategies to accurately extract information from current and future data and maximize the impact and sensitivity of next-generation experiments. Here, we briefly summarize the main results and discussions from the workshop ‘INT-25-91W: Baryon Number Violation: From Nuclear Matrix Elements to BSM Physics,’ held at the Institute for Nuclear Theory, University of Washington, Seattle, WA, 13–17 January 2025.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Incremental nonnegative matrix factorization based on correlation and graph regularization for matrix completion

Matrix factorization is widely used in recommendation systems, text mining, face recognition and computer vision. As one of the most popular methods, nonnegative matrix factorization and its incremental variants have attracted much attention. The existing incremental algorithms are established based on the assumption of samples are independent and only update the new latent variable of weighting coefficient matrix when the new sample comes, which may lead to inferior solutions. To address this issue, we investigate a novel incremental nonnegative matrix factorization algorithm based on correlation and graph regularizer (ICGNMF). The correlation is mainly used for finding out those correlated rows to be updated, that is, we assume that samples are dependent on each other. We derive the updating rules for ICGNMF by considering the correlation. We also present tests on widely used image datasets, and show ICGNMF reduces the error by comparing other methods.

Zhang, Xiaoxia↗
DOE OSTI2022

Texture analysis of AGR program matrix materials

We report the fuel form for high-temperature gas-cooled reactors consists of tristructural isotropic (TRISO) particles embedded in a matrix of graphite flake and carbonized resin. The process of overcoating particles prior to compacting yields a circumferential orientation of the graphite flake surrounding the TRISO particles, which is modified to varied extents when overcoated particles are pressed into the final fuel form. As graphite is highly anisotropic, the texture may impact the properties and performance of the fuel. Ellipsometry was used to measure the texture of the matrix for fueled compacts and unfueled “matrix-only” samples. Results indicated local texture related to the spherical particles in compacts associated with overcoating versus a more linear layered structure in “matrix-only” samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

High-Performance Sparse Matrix-Matrix Products on Intel KNL and Multicore Architectures

Sparse matrix-matrix multiplication (SpGEMM) is a computational primitive that is vastly used in areas ranging from traditional numerical applications to recent big data analysis and machine learning. While many SpGEMM algorithms have been proposed, hardware specific optimizations for multi- and many-core processors are lacking and a detailed analysis of their performance under various use cases and matrices is not available. We firstly identify and mitigate multiple bottlenecks with memory management and thread scheduling on Intel Xeon Phi (Knights Landing or KNL). Specifically targeting multi- and many-core processors, we develop a hash-table-based algorithm and optimize a heap-based shared-memory SpGEMM algorithm. We investigate their performance together with other publicly available codes. Different from the literature, our evaluation also includes use cases that are representative of real graph algorithms, such as multi-source breadth-first search or triangle counting. Our hash-table and heap-based algorithms are showing significant speedups from libraries in the majority of the cases while different algorithms dominate the other scenarios with different matrix size, sparsity, compression factor and operation type. We wrap up in-depth evaluation results and make a recipe to give the best SpGEMM algorithm for target scenario. In conclusion, a critical finding is that hash-table-based SpGEMM gets a significant performance boost if the nonzeros are not required to be sorted within each row of the output matrix.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Workflow for High-throughput Screening of Enzyme Mutant Libraries Using Matrix-assisted Laser Desorption/Ionization Mass Spectrometry Analysis of Escherichia coli Colonies

High-throughput molecular screening of microbial colonies and DNA libraries are critical procedures that enable applications such as directed evolution, functional genomics, microbial identification, and creation of engineered microbial strains to produce high-value molecules. A promising chemical screening approach is the measurement of products directly from microbial colonies via optically guided matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). Measuring the compounds from microbial colonies bypasses liquid culture with a screen that takes approximately 5 s per sample. We describe a protocol combining a dedicated informatics pipeline and sample preparation method that can prepare up to 3,000 colonies in under 3 h. The screening protocol starts from colonies grown on Petri dishes and then transferred onto MALDI plates via imprinting. The target plate with the colonies is imaged by a flatbed scanner and the colonies are located via custom software. The target plate is coated with MALDI matrix, MALDI-MS analyzes the colony locations, and data analysis enables the determination of colonies with the desired biochemical properties. This workflow screens thousands of colonies per day without requiring additional automation. The wide chemical coverage and the high sensitivity of MALDI-MS enable diverse screening projects such as modifying enzymes and functional genomics surveys of gene activation/inhibition libraries.

Choe, Kisurb↗
NASA NTRS1990

Matrix density effects on the mechanical properties of SiC fiber-reinforced silicon nitride matrix properties

The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

Bhatt, Ramakrishna T.↗
NASA NTRS1990

Thermal and mechanical behavior of metal matrix and ceramic matrix composites

The present conference discusses local stresses in metal-matrix composites (MMCs) subjected to thermal and mechanical loads, the computational simulation of high-temperature MMCs' cyclic behavior, an analysis of a ceramic-matrix composite (CMC) flexure specimen, and a plasticity analysis of fibrous composite laminates under thermomechanical loads. Also discussed are a comparison of methods for determining the fiber-matrix interface frictional stresses of CMCs, the monotonic and cyclic behavior of an SiC/calcium aluminosilicate CMC, the mechanical and thermal properties of an SiC particle-reinforced Al alloy MMC, the temperature-dependent tensile and shear response of a graphite-reinforced 6061 Al-alloy MMC, the fiber/matrix interface bonding strength of MMCs, and fatigue crack growth in an Al2O3 short fiber-reinforced Al-2Mg matrix MMC.

Kennedy, John M.↗
NASA NTRS1991

Prediction of matrix fatigue crack initiation in notched SCS-6/Ti-15-3 metal matrix composites

Several lay-ups of SCS-6/Ti-15-3 metal matrix composites were tested in either a center hole or a double edge notched geometry. At different cyclic strss levels, the number of cycles required to develop matrix fatigue cracks at the notches was recorded. A fatigue strat-life curve was developed for the Ti-15-3 matrix material. This modified parameter predicted the number of cycles required for matrix crack initiation at the notches. The predictions were in good agreement with the experimental data.

Hillberry, B. M.↗
NASA NTRS1991

Predictions of the critical strain for matrix cracking of ceramic matrix composites

The critical strain for matrix cracking of ceramic matrix composites has been studied; emphasis is placed on the effects of the fiber/matrix debonding length and interfacial debonding energy. Based on a modified shear-lag model, stresses in the fiber and matrix have been found for both the bonded and debonded regions. An energy-balance approach, based upon the stress field, is then adopted to evaluate the critical strain for matrix cracking. From the general equation for the critical strain, close form solutions have been deduced for two limiting cases: complete debonding and perfect bonding. Numerical solutions are given for the cases of nonzero debonding energy and partial fiber debonding. The results show that the interfacial debonding energy, which has been ignored by most of the investigators, is an important factor in determining both the critical strain and the debonding length.

Kuo, Wen-Shyong↗
NASA NTRS1992

Prediction of matrix fatigue crack initiation in notched SCS-6/Ti-15-3 metal matrix composites

Several lay-ups of SCS-6/Ti-15-3 metal matrix composites were tested in either a center hole or a double edge notched geometry. At different cyclic stress levels, the number of cycles required to develop matrix fatigue cracks at the notches was recorded. A fatigue strat-life curve was developed for the Ti-15-3 matrix material. This modified parameter predicted the number of cycles required for matrix crack initiation at the notches. The predictions were in good agreement with the experimental data.

Hillberry, Benjamin M.↗