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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reference-free structural variant detection in microbiomes via long-read co-assembly graphs

Motivation: The study of bacterial genome dynamics is vital for understanding the mechanisms underlying microbial adaptation, growth, and their impact on host phenotype. Structural variants (SVs), genomic alterations of 50 base pairs or more, play a pivotal role in driving evolutionary processes and maintaining genomic heterogeneity within bacterial populations. While SV detection in isolate genomes is relatively straightforward, metagenomes present broader challenges due to the absence of clear reference genomes and the presence of mixed strains. In response, our proposed method rhea, forgoes reference genomes and metagenome-assembled genomes (MAGs) by encompassing all metagenomic samples in a series (time or other metric) into a single co-assembly graph. The log fold change in graph coverage between successive samples is then calculated to call SVs that are thriving or declining. Results: We show rhea to outperform existing methods for SV and horizontal gene transfer (HGT) detection in two simulated mock metagenomes, particularly as the simulated reads diverge from reference genomes and an increase in strain diversity is incorporated. We additionally demonstrate use cases for rhea on series metagenomic data of environmental and fermented food microbiomes to detect specific sequence alterations between successive time and temperature samples, suggesting host advantage. Our approach leverages previous work in assembly graph structural and coverage patterns to provide versatility in studying SVs across diverse and poorly characterized microbial communities for more comprehensive insights into microbial gene flux.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1984

A method for measuring skin friction drag on a flat plate in contaminated gas flows

A technique for measuring friction drag in turbulent gas and gas/particle flows over flat plates is presented, and preliminary results are reported. A 0.25-in.-thick 72 x 6-in. Al plate is suspended by six horizontal support air bearings and four vertical alignment air bearings between fixed dummy plates and leading-edge and trailing-edge fairings in the 32-in.-high 48-in.-wide 11-ft-long test section of a closed-circuit atmospheric wind tunnel operating at 50-150 ft/sec. Particles of Fe and Al oxides of diameter 20-150 microns and density up to 0.3 lb particles per lb air are injected via a 6 x 0.167-in. nozzle; turbulence is induced by a roughened section of the leading-edge fairing; and friction drag is measured using a load-cell pressure transducer. Sample results are shown in a graph, demonstrating good agreement with theoretical drag calculations.

Oetting, R. B.↗
NASA NTRS1986

Modeling of multi-rotor torsional vibrations in rotating machinery using substructuring

The application of FEM modeling techniques to the analysis of torsional vibrations in complex rotating systems is described and demonstrated, summarizing results reported by Soares (1985). A substructuring approach is used for determination of torsional natural frequencies and resonant-mode shapes, steady-state frequency-sweep analysis, identification of dynamically unstable speed ranges, and characterization of transient linear and nonlinear systems. Results for several sample problems are presented in diagrams, graphs, and tables. STORV, a computer code based on this approach, is in use as a preliminary design tool for drive-train torsional analysis in the High Altitude Wind Tunnel at NASA Lewis.

Soares, Fola R.↗
NASA NTRS1988

An exactly solvable model for calculating critical misfit and thickness in epitaxial superlattices. II - Layers of unequal elastic constants and thicknesses

The theoretical model developed by van der Merwe and Jesser (1988) is extended to permit the exact determination of the critical misfit and critical thickness of an epitaxially grown superlattice made up of layers with differing elastic constants and thicknesses. Lateral force balances are maintained by means of an explicit relationship between the homogeneous misfit strains and the thicknesses and moduli. A number of simplifying approximations are introduced, and sample numerical results are presented in graphs.

Jesser, W. A.↗
NASA NTRS1988

Transfinite element methodology for nonlinear/linear transient thermal modelling/analysis - Progress and recent advances

The 'transfinite element method' (TFEM) proposed by Tamma and Railkar (1987 and 1988) for the analysis of linear and nonlinear heat-transfer problems is described and demonstrated. The TFEM combines classical Galerkin and transform approaches with state-of-the-art FEMs to obtain a flexible hybrid modeling scheme. The fundamental principles of the TFEM and the derivation of the governing equations are reviewed, and numerical results for sample problems are presented in extensive graphs and briefly characterized. Problems analyzed include a square plate with a hole, a rectangular plate with natural and essential boundary conditions and varying thermal conductivity, the Space Shuttle thermal protection system, a bimaterial plate subjected to step temperature variations, and solidification in a semiinfinite liquid slab.

Tamma, Kumar K.↗
NASA NTRS1989

Theory of the optimally coupled Q-switched laser

The general equations describing Q-switched laser operation are transcendental in nature and require numerical solutions, which greatly complicates the optimization of real devices. Here, it is shown that, using the mathematical technique of Lagrange multipliers, one can derive simple analytic expressions for all of the key parameters of the optimally coupled laser, i.e., one which uses an optimum reflector to obtain maximum laser efficiency for a given pump level. These parameters can all be expressed as functions of a single dimensionless variable z, defined as the ratio of the unsaturated small-signal gain to the dissipative (nonuseful) optical loss, multiplied by a few simple constants. Laser design tradeoff studies and performance projections can be accomplished quickly with the help of several graphs and a simple hand calculator. Sample calculations for a high-gain Nd:YAG and a low-gain alexandrite laser are presented as illustrations of the technique.

Degnan, John J.↗
NASA NTRS1988

Effect of microstructural damage on ply stresses in laminated composites

The mechanisms involved in damage and failure of laminated orthotropic composites are investigated theoretically. The continuum model developed accounts for both matrix cracks and interply delamination using second-order tensor-valued internal-state variables based on the locally averaged microcrack dynamics. The derivation of the model is given in detail, and numerical results for sample problems are presented in extensive graphs and tables. The model is shown to be effective in predicting stresses at the ply level, and significant damage-induced decreases in laminate stress states are found.

Allen, D. H.↗
NASA NTRS2016

Recurrence Rate and Magma Effusion Rate for the Latest Volcanism on Arsia Mons, Mars

Magmatism and volcanism have evolved the Martian lithosphere, surface, and climate throughout the history of Mars. Constraining the rates of magma generation and timing of volcanism on the surface clarifies the ways in which magma and volcanic activity have shaped these Martian systems. The ages of lava flows on other planets are often estimated using impact crater counts, assuming that the number and size-distribution of impact craters per unit area reflect the time the lava flow has been on the surface and exposed to potential impacts. Here we show that impact crater age model uncertainty is reduced by adding stratigraphic information observed at locations where neighboring lavas abut each other, and demonstrate the significance of this reduction in age uncertainty for understanding the history of a volcanic field comprising 29 vents in the 110-kilometer-diameter caldera of Arsia Mons, Mars. Each vent within this caldera produced lava flows several to tens of kilometers in length; these vents are likely among the youngest on Mars, since no impact craters in their lava flows are larger than 1 kilometer in diameter. First, we modeled the age of each vent with impact crater counts performed on their corresponding lava flows and found very large age uncertainties for the ages of individual vents, often spanning the estimated age for the entire volcanic field. The age model derived from impact crater counts alone is broad and unimodal, with estimated peak activity in the field around 130Ma (megaannum, 1 million years). Next we applied our volcano event age model (VEAM), which uses a directed graph of stratigraphic relationships and random sampling of the impact crater age determinations to create alternative age models. Monte Carlo simulation was used to create 10,000 possible vent age sets. The recurrence rate of volcanism is calculated for each possible age set, and these rates are combined to calculate the median recurrence rate of all simulations. Applying this approach to the 29 volcanic vents, volcanism likely began around 200-300Ma then first peaked around 150Ma, with an average production rate of 0.4 vents per Myr (million years). The recurrence rate estimated including stratigraphic data is distinctly bimodal, with a second, lower peak in activity around 100Ma. Volcanism then waned until the final vents were produced 10-90Ma. Based on this model, volume flux is also bimodal, reached a peak rate of 1-8 cubic kilometers per million years by 150Ma and remained above half this rate until about 90Ma, after which the volume flux diminished greatly. The onset of effusive volcanism from 200-150Ma might be due to a transition of volcanic style away from explosive volcanism that emplaced tephra on the western flank of Arsia Mons, while the waning of volcanism after the 150Ma peak might represent a larger-scale diminishing of volcanic activity at Arsia Mons related to the emplacement of flank apron lavas.

Richardson, Jacob A.↗
DOE OSTI2024

Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data

Efficient prediction of sampling-intensive thermodynamic properties is needed to evaluate material performance and permit high-throughput materials modeling for a diverse array of technology applications. To alleviate the prohibitive computational expense of high-throughput configurational sampling with density functional theory (DFT), surrogate modeling strategies like cluster expansion are many orders of magnitude more efficient but can be difficult to construct in systems with high compositional complexity. We therefore employ minimal-complexity graph neural network models that accurately predict and can even extrapolate to out-of-train distribution formation energies of DFT-relaxed structures from an ideal (unrelaxed) crystallographic representation. This enables the large-scale sampling necessary for various thermodynamic property predictions that may otherwise be intractable and can be achieved with small training data sets. Two exemplars, optimizing the thermodynamic stability of low-density high-entropy alloys and modulating the plateau pressure of hydrogen in metal alloys, demonstrate the power of this approach, which can be extended to a variety of materials discovery and modeling problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Hybrid Quantum–Classical Graph Transformers for Efficient Sentiment Analysis

Quantum Machine Learning (QML) offers a promising paradigm that leverages quantum computing principles to develop efficient and expressive models for learning from complex and structured data. Recent advances in natural language processing (NLP) and artificial intelligence (AI) have demonstrated capabilities in understanding, generating, and reasoning over linguistic and multimodal information. In this work, we present the Quantum Graph Transformer (QGT), a hybrid quantum–classical architecture that extends graph transformer capabilities through quantum self-attention. The QGT models variable-length sentences as token graphs, where both the embedding encoding and the self-attention mechanisms are implemented using parameterized quantum circuits (PQCs), enabling efficient contextual learning with significantly fewer trainable parameters. We train QGT using both fully connected and 𝑘 -nearest-neighbor graph structures and evaluate it on five benchmark sentiment-classification datasets. Experimental results show that QGT consistently achieves higher or comparable accuracy to existing quantum NLP models and outperforms a Classical Graph Transformer (CGT) baseline with identical architecture, achieving 29.4 × fewer parameters while requiring 3–5 × fewer samples to reach comparable performance. These findings highlight the potential of graph-based quantum models as scalable and data-efficient architectures for natural language understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

MassiveGNN: Efficient Training via Prefetching for Massively Connected Distributed Graphs

Graph Neural Networks (GNN) are indispensable in learning from graph-structured data, yet their rising computational costs, especially on massively connected graphs, pose significant challenges in terms of execution performance. To tackle this, distributed-memory solutions such as partitioning the graph to concurrently train multiple replicas of GNNs are in practice. However, approaches requiring a partitioned graph usually suffer from communication overhead and load imbalance, even under optimal partitioning and communication strategies due to irregularities in the neighborhood minibatch sampling. This paper proposes practical trade-offs for improving the sampling and communication overheads for representation learn- ing on distributed graphs (using popular GraphSAGE architecture) by developing a parameterized prefetch and eviction scheme on top of the state-of-the-art Amazon DistDGL distributed GNN framework, demonstrating about 15–40% improvement in end-to-end training performance on the NERSC Perlmutter supercomputer for various OGB datasets.

Machine Leanring, high performance comptuing, grap↗
DOE OSTI2024

Metabolic model-based ecological modeling for probiotic design

The microbial community composition in the human gut has a profound effect on human health. This observation has lead to extensive use of microbiome therapies, including over-the-counter ‘probiotic’ treatments intended to alter the composition of the microbiome. Despite so much promise and commercial interest, the factors that contribute to the success or failure of microbiome-targeted treatments remain unclear. We investigate the biotic interactions that lead to successful engraftment of a novel bacterial strain introduced to the microbiome as in probiotic treatments. We use pairwise genome-scale metabolic modeling with a generalized resource allocation constraint to build a network of interactions between taxa that appear in an experimental engraftment study. We create induced sub-graphs using the taxa present in individual samples and assess the likelihood of invader engraftment based on network structure. To do so, we use a generalized Lotka-Volterra model, which we show has strong ability to predict if a particular invader or probiotic will successfully engraft into an individual’s microbiome. Furthermore, we show that the mechanistic nature of the model is useful for revealing which microbe-microbe interactions potentially drive engraftment.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

The stabilization of electrolytes for rechargeable lithium batteries

Recent experimental studies of Li secondary cells are reviewed, focusing on (1) the novel anion lithium trifluoromethanesulfonyl imide (LTI) and (2) the use of KO2 and KOH additives to stabilize the electrolyte. Sample data are presented in tables and graphs and briefly characterized. The charging limits of LTI were found to compare favorably with those of LiAsFe6/THF and 2-MeTHF. Significant improvements were also obtained with the additives, but the results were erratic, with 2-3-fold variations among identical preparations. These differences are tentatively attributed to Li-film inhomogeneities and reactions of O2(-) with the solvent and impurities, especially in the cathode pores.

Dominey, L. A.↗
DOE OSTI2020

Determining Compression Characteristics of Honeycomb Material - 19674

The objective is to determine compression test characteristics of stainless steel honeycomb material to be able to represent honeycomb structures accurately in analytical models used to simulate hypothetical accident scenarios of shipping packages. Honeycomb is a material used primary in the aerospace industry due to its high strength-to-weight ratio. Because it doesn't have a shelf life and can withstand high heats, it is an excellent candidate for a structural material in package designs. Honeycomb has orthotropic material properties. The honeycomb currently being evaluated is made of metal ribbons spot welded together to form hexagon pattern between metal plates. The hexagon ribbons are brazed to the metal plates. The complexity of the honeycomb significantly lengthens the simulation time, which is further complicated when the brazing, welding, and imperfections of the material is considered. This means to affectively represent the honeycomb in simulation programs, such as Abaqus, the material needs to be approximated as a uniform orthotropic material. This requires material properties in each of the three directions, T, W, and L. The T direction is defined as the 'strong' direction, perpendicular to the honeycomb sheet. The L direction is parallel the ribbon and the W direction is perpendicular to the ribbon. Honeycomb has 3 different compression stages. Stage 1 is the initial compression where the honeycomb maintains its structural integrity and does not permanently deform from loads from normal operations. Stage 2 is when the initial buckling causes irreversible damage to the honeycomb. Stage 2 is the one we are most interested in because it absorbs the most energy from a hypothetical accident scenario. During Stage 2, the honeycomb fails layer-by-layer, indicating that the more layers, the longer material crushing is sustained, and thus the more energy that is absorbed. Stage 3 is final compression, similar to compressing solid metal. During stage 3 the stress increases with a diminishing rate of elongation and the honeycomb is completely failed where the plates between the honeycomb core sandwich the crushed honeycomb ribbon. The stress-strain graph bellow shows compression test of 3 different samples in the T direction. The red lines divide the three stages. The far left is Stage 1, the middle stage 2, and the right stage 3. The data collected is displayed in the table below. The expressions in the table represent the regression formula that represents each stage of the compression on a stress-strain graph. Stage 1 is assumed to intersect with the origin; data for stage 3 for the crush in W and L directions where unable to be gathered due to the nature of failure for those directions. Stage 1 and 2 are linear regressions while stage 3 is a degree 2, to best match the curve. Linear regression is used on stage 2 because ultimately that represents the energy absorbed. With more data, a degree n x 2 regression would be a more appropriate regression for stage 2, where n is the number of layers. The table below is the approximation of each scenario and stage. Each stage starts and ends at the intersection of the next stage. There where two main objectives for these tests: firstly to understand how honeycomb performs under extreme compression, and secondly to be able to numerically represent the honeycomb structure. Both of these where completed to varying degrees. It is important understood how the honeycomb fails. If it is crushed in the T direction it retains its integrity even after being crushed, however when crushed in the L and W crush direction, if it fails, it disintegrates, and loses all integrity. Also, the more layers the more time the material spends in stage 2. Failure is started by buckling, thus if there is any imperfection, the stress will not spike but transition straight into stage 2. The data collected and aggregated can be used for initial simulation of honeycomb used in packages. The initial testing has set the ground work for more data to be collected in order to verify results and to allow more confidence in the simulation results. This is only the initial data collected. The next steps is to continue to collect more data to verify results and to test more variants of honeycomb, with different brazing, layers, and shape.

36 MATERIALS SCIENCE↗
DOE OSTI2020

ConnectIt: a framework for static and incremental parallel graph connectivity algorithms

Connected components is a fundamental kernel in graph applications. The fastest existing multicore algorithms for solving graph connectivity are based on some form of edge sampling and/or linking and compressing trees. However, many combinations of these design choices have been left unexplored. In this paper, we design the ConnectIt framework, which provides different sampling strategies as well as various tree linking and compression schemes. ConnectIt enables us to obtain several hundred new variants of connectivity algorithms, most of which extend to computing spanning forest. In addition to static graphs, we also extend ConnectIt to support mixes of insertions and connectivity queries in the concurrent setting. We present an experimental evaluation of ConnectIt on a 72-core machine, which we believe is the most comprehensive evaluation of parallel connectivity algorithms to date. Compared to a collection of state-of-the-art static multicore algorithms, we obtain an average speedup of 12.4x (2.36x average speedup over the fastest existing implementation for each graph). Using ConnectIt, we are able to compute connectivity on the largest publicly-available graph (with over 3.5 billion vertices and 128 billion edges) in under 10 seconds using a 72-core machine, providing a 3.1x speedup over the fastest existing connectivity result for this graph, in any computational setting. For our incremental algorithms, we show that our algorithms can ingest graph updates at up to several billion edges per second. To guide the user in selecting the best variants in ConnectIt for different situations, we provide a detailed analysis of the different strategies. Finally, we show how the techniques in ConnectIt can be used to speed up two important graph applications: approximate minimum spanning forest and SCAN clustering.

Computer Science↗
NASA NTRS1987

Shock effects and argon loss in samples of the Leedey L6 chondrite experimentally shocked to 29-70 GPa pressures

The recovery of polished 600-micron-thick 7-mm-diameter disk samples and powder samples of the Leedey L6 chondrite from 29-70-GPa experimental shocks is investigated experimentally under vacuum conditions, with a focus on the possible direct shock loss of radiogenic Ar. The results of petrographic examination of the shocked samples and Ar isotope measurements are presented in tables, graphs, and micrographs and characterized in detail. The principal damage mechanisms are identified as mechanical disaggregation and increasing cataclasis, with little melting. The degassing of radiogenic Ar is found to be relatively modest and to increase with shock pressure and sample porosity; it is attributed to a combination of mechanical grain disruption and feldspar melting. It is inferred that Ar loss in naturally shocked materials (especially those showing few signs of melting) probably occurs during extended exposure to high temperatures during impact formation.

Bogard, Donald↗
DOE OSTI2023

Graph Sparsification by Approximate matrix Multiplication

Graphs arising in statistical problems, signal processing, large networks, combinatorial optimization, and data analysis are often dense, which causes both computational and storage bottlenecks. One way of sparsifying a weighted graph, while sharing the same vertices as the original graph but reducing the number of edges, is through spectral sparsification. We study this problem through the perspective of RandNLA. Specifically, we utilize randomized matrix multiplication to give a clean and simple analysis of how sampling according to edge weights gives a spectral approximation to graph Laplacians, without requiring spectral information. Through the CR–MM algorithm, we attain a simple and computationally efficient sparsifier whose resulting Laplacian estimate is unbiased and of minimum variance. Here, we define a new notion of additive spectral sparsifiers, which has not been considered in the literature.

97 MATHEMATICS AND COMPUTING↗