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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Manifold Insulation for Solar Collectors

Results of computer analysis of effects of various manifold insulation detailed in 23-page report show that if fluid is distributed to and gathered from array of solar collectors by external rather than internal manifold, effectiveness of manifold insulation has major influence on efficiency. Report describes required input data and presents equations that govern computer model. Provides graphs comparing collector efficiencies for representative manifold sizes and insulations.

Source record↗
NASA NTRS1984

Electron-cyclotron maser radiation from a relativistic loss-cone distribution

A relativistic analysis of the electron-cyclotron maser instability in a loss-cone distribution is presented, extending the treatment of Lau and Chu (1983) to include the effects of finite k-perpendicular (as encountered in laboratory tandem-mirror devices with mean energies in excess of 50 keV). The results are presented in graphs, and it is found that the k-perpendicular effects are significant, so that emission perpendicular to the magnetic field is associated with most rapid growth of the instability. The persistence of the instability when the ratio of the plasma frequency to the electron-cyclotron frequency is less than 0.1 is demonstrated, and the factors which need to be accounted for in applying the results to actual mirror devices are indicated.

Pritchett, P. L.↗
NASA NTRS1987

Recent progress in the development and understanding of SUPG methods with special reference to the compressible Euler and Navier-Stokes equations

The current status of streamline-upwind/Petrov-Galerkin (SUPG) methods for the analysis of flow problems is surveyed in an analytical review. Problem areas addressed include classical Galerkin, upwind, artificial-diffusion, SUPG, discontinuous Galerkin, space-time FEM, and discontinuity-capturing approaches to the scalar advection-diffusion equation; incompressible flows; advective-diffusive systems; and the compressible Euler and Navier-Stokes equations. Graphs and diagrams are provided, and the good stability properties of state-of-the-art SUPG methods are pointed out.

Hughes, Thomas J. R.↗
DOE OSTI2025

Charting the chemical space of Zintl phases with graph neural networks and bonding insights

A large number of Zintl phases have been discovered by solid-state chemists driven by empirical knowledge, chemical intuition and in some cases, through serendipitous accidents. These discoveries have only scratched the surface, given the vast compositional and structural diversity that Zintl phases can accommodate. The large chemical space of Zintl phases, as well as intermetallic compounds in general, remain under-explored. Here, we use graph neural networks and the upper bound energy minimization approach to efficiently scan a large chemical space of >90 000 hypothetical Zintl phases and accurately discover 1810 new thermodynamically stable phases with 90% precision, as validated with first-principles calculations. We show that our approach is more than 2× more accurate in predicting DFT stability than M3GNet (40% precision) on the same dataset. Using a random forest model and SHAP analysis, we demonstrate the critical role of ionic bonding in the thermodynamic stability of Zintl phases. Our results not only expand the known chemical landscape of Zintl phases but also highlight the efficacy of machine learning frameworks combined with domain knowledge in uncovering chemically meaningful insights across complex intermetallics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optimizing High-Throughput Inference on Graph Neural Networks at Shared Computing Facilities with the NVIDIA Triton Inference Server

Abstract With machine learning applications now spanning a variety of computational tasks, multi-user shared computing facilities are devoting a rapidly increasing proportion of their resources to such algorithms. Graph neural networks (GNNs), for example, have provided astounding improvements in extracting complex signatures from data and are now widely used in a variety of applications, such as particle jet classification in high energy physics (HEP). However, GNNs also come with an enormous computational penalty that requires the use of GPUs to maintain reasonable throughput. At shared computing facilities, such as those used by physicists at Fermi National Accelerator Laboratory (Fermilab), methodical resource allocation and high throughput at the many-user scale are key to ensuring that resources are being used as efficiently as possible. These facilities, however, primarily provide CPU-only nodes, which proves detrimental to time-to-insight and computational throughput for workflows that include machine learning inference. In this work, we describe how a shared computing facility can use the NVIDIA Triton Inference Server to optimize its resource allocation and computing structure, recovering high throughput while scaling out to multiple users by massively parallelizing their machine learning inference. To demonstrate the effectiveness of this system in a realistic multi-user environment, we use the Fermilab Elastic Analysis Facility augmented with the Triton Inference Server to provide scalable and high-throughput access to a HEP-specific GNN and report on the outcome.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?

Since the first detailed compositional analysis of dissolved organic matter (DOM) in 1995, high resolution mass spectrometry (HRMS) has become a vital tool for DOM characterization. While the upward trend in HRMS for molecular level analysis of DOM continues, so do the challenges of data comparison and interpretation between laboratories operating instruments of differing performance and user operating conditions. It is therefore essential that the community establishes whether data and trends can be compared robustly between research groups. To this end, 4 identically prepared DOM samples were each studied by 16 laboratories, representing 17 commercially-purchased instruments located across 8 countries, using positive- and negative-mode electrospray ionization (ESI) HRMS analysis. Despite the widely reported sensitivity of ESI experiments to sample matrix, preparation, ion source operation and instrument tuning parameters, the instruments used in this study showed relatively low variability between results for the same samples, particularly H/C and AI metrics. The variation in O/C and m/z metrics was relatively higher, although z-score graphs and %BCD demonstrated that the relative difference in general chemical composition between samples was the same for each instrument included in the study. As such, these metrics can be used for fingerprinting of DOM samples and as a benchmark for quality control in participating laboratories, with future strides in environmental science building upon these efforts.

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

Causal discovery from data assisted by large language models

Knowledge-driven discovery of novel materials necessitates the development of causal models for property emergence. While in the classical physical paradigm, the causal relationships are deduced based on physical principles or via experiment, the rapid accumulation of observational data necessitates learning causal relationships between dissimilar aspects of material structure and functionalities based on observations. For this, it is essential to integrate experimental data with prior domain knowledge. Here, we demonstrate this approach by combining high-resolution scanning transmission electron microscopy data with insights derived from large language models (LLMs). By applying ChatGPT to domain-specific literature, such as arXiv papers on ferroelectrics, and combining the obtained information with data-driven causal discovery, we construct adjacency matrices for directed acyclic graphs that map the causal relationships between structural, chemical, and polarization degrees of freedom in Sm-doped BiFeO 3 . This approach enables us to hypothesize how synthesis conditions influence material properties and guides experimental validation. Furthermore, the ultimate objective of this work is to develop a unified framework that integrates LLM-driven literature analysis with data-driven discovery, facilitating the precise engineering of ferroelectric materials by establishing clear connections between synthesis conditions and their resulting material properties.

Causal inference↗
DOE OSTI2024

Deeplynx Dag Repository

The DeepLynx DAG repository will contain several Airflow DAGs (Directed Acyclic Graphs) which will be used in the context of DeepLynx's deployed Apache Airflow instance. These DAGs will be used for multiple data management tasks for DeepLynx data, including but not limited to: - bringing data from various sources and tools into DeepLynx - managing sequential data workflows, such as running Python scripts on data to perform analysis and returning the results to DeepLynx - performing any necessary transformation or pre-processing on data coming into DeepLynx from external sources or out of DeepLynx to go to external applications

Brownlee, JarenM.↗
DOE OSTI2021

COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms

We need to effectively combine the knowledge from surging literature with complex datasets to propose mechanistic models of SARS-CoV-2 infection, improving data interpretation and predicting key targets of intervention. Here, we describe a large-scale community effort to build an open access, interoperable and computable repository of COVID-19 molecular mechanisms. The COVID-19 Disease Map (C19DMap) is a graphical, interactive representation of disease-relevant molecular mechanisms linking many knowledge sources. Notably, it is a computational resource for graph-based analyses and disease modelling. To this end, we established a framework of tools, platforms and guidelines necessary for a multifaceted community of biocurators, domain experts, bioinformaticians and computational biologists. The diagrams of the C19DMap, curated from the literature, are integrated with relevant interaction and text mining databases. We demonstrate the application of network analysis and modelling approaches by concrete examples to highlight new testable hypotheses. This framework helps to find signatures of SARS-CoV-2 predisposition, treatment response or prioritisation of drug candidates. Such an approach may help deal with new waves of COVID-19 or similar pandemics in the long-term perspective.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

A simulator investigation of the influence of engine response characteristics on the approach and landing for an externally blown flap aircraft. Part 2: Aerodynamic model

An analysis of the influence of engine response characteristics on the approach and landing of an externally blown flap aircraft was conducted using flight simulator facilities. The configuration of the aerodynamic model is described. The aerodynamic characteristics as a function of angle of attack, thrust coefficient, and flap deflection are presented in tabular form and as graphs.

Ciffone, D. L.↗
NASA NTRS1982

IUE observations of the 1981 outburst of nova Cr A

Low dispersion spectrum observations are analyzed. The light curve of nova Cr A, indicating a moderately fast nova, is presented. Flux calibrated, merged spectrum graphs of April 21, 1981 and September 13, 1981 are presented, demonstrating very strong lines of Al and Si. Additional strong C, Ni, O, and Ne emission lines were identified. Emission lines due to highly ionized species such as Mg VII and Al Vl were observed for short times in May and June 1981. Preliminary analysis of spectra obtained 200 days after maximum indicate that the nebula is still in transition and has not yet reached the nebula state. An over abundance of N and Ne are suggested.

Sparks, W. M.↗
NASA NTRS1990

Model-based estimation of wind fields over the ocean from wind scatterometer measurements. I - Development of the wind field model. II - Model parameter estimation

Techniques for the determination of near-surface mesoscale ocean wind fields on the basis of satellite scatterometer data are developed and demonstrated. The derivation of normal-boundary and parameterized-boundary-condition (PBC) wind-field models is outlined, and results from a simulation performed to estimate the model errors are presented in tables. It is shown that the PBC model provides accurate results while minimizing the number of unknowns. After a review of the principles of scatterometry and an analysis of scatterometer measurement noise, an objective function for the measurement parameters is developed and optimized on the basis of gradient search with initial values computed from pointwise wind estimates. The model is then applied to data from a simulation of the NASA Scatterometer (Li et al., 1984), and the results are presented in extensive graphs. The feasibility of model-based wind-field estimation and the appropriateness of the PBC model are demonstrated.

Long, David G.↗
NASA NTRS1993

Knowledge engineering for temporal dependency networks as operations procedures

This paper presents a case study of the knowledge engineering process employed to support the Link Monitor and Control Operator Assistant (LMCOA). The LMCOA is a prototype system which automates the configuration, calibration, test, and operation (referred to as precalibration) of the communications, data processing, metric data, antenna, and other equipment used to support space-ground communications with deep space spacecraft in NASA's Deep Space Network (DSN). The primary knowledge base in the LMCOA is the Temporal Dependency Network (TDN), a directed graph which provides a procedural representation of the precalibration operation. The TDN incorporates precedence, temporal, and state constraints and uses several supporting knowledge bases and data bases. The paper provides a brief background on the DSN, and describes the evolution of the TDN and supporting knowledge bases, the process used for knowledge engineering, and an analysis of the successes and problems of the knowledge engineering effort.

Fayyad, Kristina E.↗
NASA NTRS2009

NASA Tech Briefs, April 2009

Topics covered include: Direct-Solve Image-Based Wavefront Sensing; Use of UV Sources for Detection and Identification of Explosives; Using Fluorescent Viruses for Detecting Bacteria in Water; Gradiometer Using Middle Loops as Sensing Elements in a Low-Field SQUID MRI System; Volcano Monitor: Autonomous Triggering of In-Situ Sensors; Wireless Fluid-Level Sensors for Harsh Environments; Interference-Detection Module in a Digital Radar Receiver; Modal Vibration Analysis of Large Castings; Structural/Radiation-Shielding Epoxies; Integrated Multilayer Insulation; Apparatus for Screening Multiple Oxygen-Reduction Catalysts; Determining Aliasing in Isolated Signal Conditioning Modules; Composite Bipolar Plate for Unitized Fuel Cell/Electrolyzer Systems; Spectrum Analyzers Incorporating Tunable WGM Resonators; Quantum-Well Thermophotovoltaic Cells; Bounded-Angle Iterative Decoding of LDPC Codes; Conversion from Tree to Graph Representation of Requirements; Parallel Hybrid Vehicle Optimal Storage System; and Anaerobic Digestion in a Flooded Densified Leachbed.

Source record↗
NASA NTRS2011

NASA Tech Briefs, October 2011

Topics covered include: Laser Truss Sensor for Segmented Telescope Phasing; Qualifications of Bonding Process of Temperature Sensors to Deep-Space Missions; Optical Sensors for Monitoring Gamma and Neutron Radiation; Compliant Tactile Sensors; Cytometer on a Chip; Measuring Input Thresholds on an Existing Board; Scanning and Defocusing Properties of Microstrip Reflectarray Antennas; Cable Tester Box; Programmable Oscillator; Fault-Tolerant, Radiation-Hard DSP; Sub-Shot Noise Power Source for Microelectronics; Asynchronous Message Service Reference Implementation; Zero-Copy Objects System; Delay and Disruption Tolerant Networking MACHETE Model; Contact Graph Routing; Parallel Eclipse Project Checkout; Technique for Configuring an Actively Cooled Thermal Shield in a Flight System; Use of Additives to Improve Performance of Methyl Butyrate-Based Lithium-Ion Electrolytes; Li-Ion Cells Employing Electrolytes with Methyl Propionate and Ethyl Butyrate Co-Solvents; Improved Devices for Collecting Sweat for Chemical Analysis; Tissue Photolithography; Method for Impeding Degradation of Porous Silicon Structures; External Cooling Coupled to Reduced Extremity Pressure Device; A Zero-Gravity Cup for Drinking Beverages in Microgravity; Co-Flow Hollow Cathode Technology; Programmable Aperture with MEMS Microshutter Arrays; Polished Panel Optical Receiver for Simultaneous RF/Optical Telemetry with Large DSN Antennas; Adaptive System Modeling for Spacecraft Simulation; Lidar-Based Navigation Algorithm for Safe Lunar Landing; Tracking Object Existence From an Autonomous Patrol Vehicle; Rad-Hard, Miniaturized, Scalable, High-Voltage Switching Module for Power Applications; and Architecture for a 1-GHz Digital RADAR.

Source record↗
NASA NTRS2020

Model Rotor Hover Performance at Low Reynolds Number

Hover performance data from four key experiments has been analyzed in detail to shed some light on model rotor hover performance at low Reynolds number. Each experiment used the simplest blade geometry. The blades were constant chord and untwisted. Three experiments used blades with the NACA 0012 airfoil from root to tip. The NACA 0015 was used in the earliest test. The four experiments provide data spanning a Reynolds number range of 136,500 to 548,700. The specific objective of this report is to ask and answer two questions: 1. Does blade aspect ratio influence hover performance or is rotor solidity the fundamental rotor geometry parameter for practical engineering purposes? ANSWER: Rotor solidity is the fundamental rotor geometry parameter for practical engineering purposes. Any effect of blade aspect ratio appears to be such a secondary variable that its effect lies within the range of experimental error. 2. Is Reynolds number a significant factor in scaling up hover performance to full-scale rotor performance? The answer is twofold. ANSWER: (a) Reynolds number effects on the increase of power with thrust do not appear to be a significant factor for practical engineering purposes, and (b) Reynolds number effects on minimum profile power at or very near zero rotor thrust could not be clearly established primarily because the low torque levels could not be accurately measured with the test equipment used. This has led to significant data scatter. A number of other observations can be made based on the analysis provided herein. For instance: 1. The test matrices used in the four key references contained far too few data points. A collective pitch variation of four or five data points is insufficient to establish experimental accuracy and data repeatability. 2. A common property of the power-versus-thrust (raised to the 3/2 exponent) graphs was that this curve was linear below the onset of blade stall. 3. The blade-to-blade interference at or near zero thrust may, in fact, be creating a turbulent flow field such that the effective Reynolds number at a blade element is considerably greater than what theories using two-dimensional (2D) airfoil properties at a blade element would calculate. 4. Definitive experiments answering the two key questions have yet to be made.

Model Rotor Hover Performance↗
DOE OSTI2020

Performance Analysis of Scientific Computing Workloads on Trusted Execution Environments

Scientific computing sometimes involves computation on sensitive data. Depending on the data and the execution environment, the HPC (high-performance computing) user or data provider may require confidentiality and/or integrity guarantees. To study the applicability of hardware-based trusted execution environments (TEEs) to enable secure scientific computing, we deeply analyze the performance impact of AMD SEV and Intel SGX for diverse HPC benchmarks including traditional scientific computing, machine learning, graph analytics, and emerging scientific computing workloads. We observe three main findings: 1) SEV requires careful memory placement on large scale NUMA machines (1x -3.4x slowdown without and 1x -1.15x slowdown with NUMA aware placement), 2) virtualization - a prerequisite for SEV - results in performance degradation for workloads with irregular memory accesses and large working sets (1x -4x slowdown compared to native execution for graph applications) and 3) SGX is inappropriate for HPC given its limited secure memory size and inflexible programming model (1.2x -126x slowdown over unsecure execution). Finally, we discuss forthcoming new TEE designs and their potential impact on scientific computing.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Transitional modes of motion and capture regions of vibroshock systems

A numerical analysis of the transitional modes of motion for a vibroshock system was conducted. The capture regions of the system are emphasized. The three initial parameters for a nonautonomous vibroshock system with one degree of freedom are identified as: (1) coordinates, (2) velocity, and (3) time. Mathematical models are developed to show the relationship of the parameters. Graphs are included to show the nature of the capture regions and to portray the trajectory of motion of mass with time, by solution of differential equations during increase and decrease in time.

Ragulskene, V. L.↗