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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 469 records · Page 26

Transforming Energy Through Computational Excellence: A View From NREL

At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.

97 MATHEMATICS AND COMPUTING↗

Tenth Workshop for Computational Fluid Dynamic Applications in Rocket Propulsion, part 2

Presented here are 59 abstracts and presentations and three invited presentations given at the Tenth Workshop for Computational Fluid Dynamic Applications in Rocket Propulsion held at the George C. Marshall Space Flight Center, April 28-30, 1992. The purpose of the workshop is to discuss experimental and computational fluid dynamic activities in rocket propulsion. The workshop is an open meeting for government, industry, and academia. A broad number of topics are discussed, including a computational fluid dynamic methodology, liquid and solid rocket propulsion, turbomachinery, combustion, heat transfer, and grid generation.

Computational Fluid Dynamics↗

A cislunar guidance methodology and model for low thrust trajectory generation

A guidance methodology for generating low-thrust cislunar trajectories was developed and incorporated in a computer model. The guidance methodology divides the cislunar transfer into three phases. Each phase is discussed in turn. To establish the effectiveness of the methodology and algorithms the computer model generated three example cases for the cislunar transfer of a low-thrust electric orbital transfer vehicle (EOTV). Transfers from both earth orbit to lunar orbit and from lunar orbit back to earth orbit are considered. The model allows the determination of the low-thrust EOTV's time-of-flight, propellant mass, payload mass, and thrusting history.

Korsmeyer, David J.↗

Data fusion in neutron and X-ray computed tomography

We present a fusion methodology between neutron and X-ray computed tomography (CT). On the one hand, the inspection by X-ray CT of a wide class of multimaterials in non-destructive testing applications suffers from limited information of object features. On the other hand, neutron imaging can provide complementary data in such a way that the combination of both data sets fully characterizes the object. In this contribution, a novel data fusion procedure, called Fusion Regularized Simultaneous Algebraic Reconstruction Technique, is developed where the X-ray reconstruction is modified to fulfill the available data from the imaging with neutrons. The experiments, which were obtained from an aluminum profile containing a steel screw, and attached carbon fiber plates demonstrate that the image quality in CT can be significantly improved when the proposed fusion method is used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Parallelized modelling and solution scheme for hierarchically scaled simulations

This two-part paper presents the results of a benchmarked analytical-numerical investigation into the operational characteristics of a unified parallel processing strategy for implicit fluid mechanics formulations. This hierarchical poly tree (HPT) strategy is based on multilevel substructural decomposition. The Tree morphology is chosen to minimize memory, communications and computational effort. The methodology is general enough to apply to existing finite difference (FD), finite element (FEM), finite volume (FV) or spectral element (SE) based computer programs without an extensive rewrite of code. In addition to finding large reductions in memory, communications, and computational effort associated with a parallel computing environment, substantial reductions are generated in the sequential mode of application. Such improvements grow with increasing problem size. Along with a theoretical development of general 2-D and 3-D HPT, several techniques for expanding the problem size that the current generation of computers are capable of solving, are presented and discussed. Among these techniques are several interpolative reduction methods. It was found that by combining several of these techniques that a relatively small interpolative reduction resulted in substantial performance gains. Several other unique features/benefits are discussed in this paper. Along with Part 1's theoretical development, Part 2 presents a numerical approach to the HPT along with four prototype CFD applications. These demonstrate the potential of the HPT strategy.

Padovan, Joe↗

Properties of Electronic Materials

This final technical report summarizes the research conducted under DOE Grant DE-SC0002623, "Properties of Electronic Materials," led by Principal Investigator Shengbai Zhang at Rensselaer Polytechnic Institute. Over the 16-year period, the project employed first-principles computational methods to investigate the structural, electronic, and dynamic properties of a wide range of electronic materials, with applications in energy technologies, optoelectronics, and data storage. Key areas included topological insulators, phase-change materials, graphene and two-dimensional systems, perovskites for photovoltaics, defect engineering in semiconductors, kagome lattices, and ultrafast carrier dynamics. The research resulted in 115 peer-reviewed publications, advancing fundamental understanding of material behaviors at the atomic scale and contributing to innovations in renewable energy, memory devices, and quantum materials. Findings have implications for improving energy efficiency, developing lead-free solar cells, and enabling high-speed data processing. The work has trained numerous graduate students and postdocs, fostering the next generation of computational materials scientists. The original goals were to develop theoretical models and computational tools to predict and optimize electronic properties of materials for energy applications. All objectives were accomplished, with no major departures from planned methodologies. Challenges in computational scaling were addressed through access to high-performance computing resources.

36 MATERIALS SCIENCE↗

Design and spacecraft-integration of RTGs for solar probe

The design, analysis, and spacecraft integration of radioisotope thermoelectric generators (RTG) to power the Solar Probe under study at NASA JPL is described. The mission of the Solar Probe is to explore the solar corona by performing in situ measurements at up to four solar radii to the sun. Design constraints for the RTG are discussed. The chief challenge in the design and system integration of the Solar Probe's RTG is a heat rejection problem. Two RTG orientations, horizontal and oblique, are analyzed for effectiveness and results are summarized in chart form. A number of cooling strategies are also investigated, including heat-pipe and reflector-cooled options. A methodology and general computer code are presented for analyzing the performance of arbitrarily obstructed RTGs with both axial and circumferential temperature, voltage, and current variation. This methodology is applied to the specific example of the Solar Probe RTG obstructed by a semicylindrical reflector of 15-inch radius.

Schock, A.↗

Inverse FEM for Full-Field Reconstruction of Elastic Deformations in Shear Deformable Plates and Shells

The inverse problem of real-time reconstruction of full-field structural displacements is addressed through the application of a new variational formulation leading to versatile, robust and computationally efficient inverse shell finite element analysis. Utilizing surface strain measurements from strain sensors mounted on the load-carrying structural components, the methodology enables accurate computations of the three-dimensional displacement field. This high fidelity computational technology is essential for providing feedback to the actuation and control systems of the next generation of aerospace vehicles.

Tessler, Alexander↗

Appendix to: Methodology for Creating Thermodynamic Tables for Application to Computation of Speed of Sound by the Global Reference Atmospheric Model (GRAM) Suite: Validation Testing

The primary report to which this document appends provides the background, methodology, and outputs for the development of constituent-specific tables of specific heats as functions of temperature and pressure. These tables are used by the GRAM Suite to compute speed of sound by a process detailed in the primary report. The current document details verification and validation testing that was performed on the contents and implementation of the output tables.

Speed of Sound↗

Mariner 9 control net of Mars, August 1972

Results are presented for a planet-wide geodetic control net of Mars which is based on Mariner 9 pictures as of August 1972. Aerocentric and aerographic coordinate of 809 control points were computed from 407 television frames. Photogrammetric parameters and methodology used in the computations are discussed. The coordinates of the features are given and figures that show the locations of the control points on the surface of Mars are included.

Davies, M. E.↗

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

Kurdila, Andrew J.↗

Integrated Computational Materials Engineering Development of Advanced High Strength Steel for Lightweight Vehicles

The goal of the ICME 3GAHSS project was to successfully demonstrate the applicability of Integrated Computational Materials Engineering (ICME) for the development and deployment of third generation advanced high strength steels (3GAHSS) for immediate weight reduction in passenger vehicles. The ICME approach integrated results from well-established computational and experimental methodologies to develop a suite of material constitutive models (deformation and failure), manufacturing process and performance simulation modules, a properties database, as well as the computational environment linking them together for both performance prediction and material optimization. This is the Final Report for the ICME 3GAHSS project, which achieved the fol-lowing objectives: 1) Developed a 3GAHSS ICME model, which includes atomistic, crystal plasticity, state variable and forming models. The 3GAHSS model was implemented in commercially available LS-DYNA and a user guide was developed to facilitate use of the model. 2) Developed and produced two 3GAHSS alloys using two different chemistries and manufacturing processes, for use in calibrating and validating the 3GAHSS ICME Model. 3) Optimized the design of an automotive subassembly by substituting 3GAHSS for AHSS yielding a design that met or exceeded all baseline performance requirements with a 30% mass savings. A technical cost model was also developed to estimate the cost per pound of weight saved when substituting 3GAHSS for AHSS. The project demonstrated the potential for 3GAHSS to achieve up to 30% weight savings in an automotive structure at a cost penalty of up to $0.32 to $1.26 per pound of weight saved. The 3GAHSS ICME Model enables the user to design 3GAHSS to desired mechanical properties in terms of strength and ductility.

36 MATERIALS SCIENCE↗

Infrared Algorithm Development for Ocean Observations with EOS/MODIS

Efforts continue under this contract to develop algorithms for the computation of sea surface temperature (SST) from MODIS infrared measurements. This effort includes radiative transfer modeling, comparison of in situ and satellite observations, development and evaluation of processing and networking methodologies for algorithm computation and data accession, evaluation of surface validation approaches for IR radiances, development of experimental instrumentation, and participation in MODIS (project) related activities. Activities in this contract period have focused on radiative transfer modeling, evaluation of atmospheric correction methodologies, undertake field campaigns, analysis of field data, and participation in MODIS meetings.

Brown, Otis B.↗

Uniformly Ordered Binary Decision Algorithm for Benchmark Experiment Correlations in Whisper Validation

When performing a validation exercise for determining the upper subcritical limit of a nuclear criticality safety application, an analyst should select and perform a statistical analysis on a population of benchmark experiments that are neutronically similar to the application. The size of this population should be sufficiently large such that the statistical analysis has a high degree of confidence that the bias plus bias uncertainty (calculational margin) has been accurately quantified. A complication arises because many benchmark experiments share common components, leading to correlations in their measured effective multiplication factors. Correlations between benchmark experiments within the population reduces its predictive power. This motivates the need for methods that consider benchmark experiment correlations and ensure adequate statistical significance of results. The Whisper code is a statistical analysis pack- age that incorporates nuclear data sensitivity coefficients from MCNP to assess benchmark experiment similarity and then performs an extreme-value analysis to estimate the bias plus bias uncertainty. The original methodology in Whisper does not consider the effect of benchmark experiment correlations when making this estimation, and this summary proposes the uniformly ordered binary decision algorithm to address this shortcoming. The original methodology in Whisper computes similarity coefficients ck for an application compared to all benchmark experiments in its library and develops weighting factors for a selected population proportional to the ck values. The methodology can be interpreted as statistically emulating a validation exercise for a particular application where the weighting factors may be viewed as the likelihood that an analyst would include a particular benchmark experiment within the population. The effective sample size of the population is the expected or mean number of benchmark experiments in the population. The uniformly ordered binary decision algorithm identifies clusters of correlated benchmark experiments within the population and then computes adjusted weighting factors based on the magnitude of the correlation coefficients within the cluster to compute a reduced effective sample size accounting for the lower information content because of correlations. Benchmark experiments within the cluster are ordered randomly with equal probability and probabilistic decisions are made as to whether a benchmark. experiment within the cluster should treated as redundant with a previous one; if two redundant benchmark experiments are included, then the conservative worst case bias plus bias uncertainty is used and the pair is counted as a single benchmark experiment in the population. Results are provided for HEU solutions in a research version of the Whisper software using benchmark experiment correlations provided by DICE, the Database for the International Criticality Safety Benchmark Evaluation Project (ICSBEP). These show that there can be a significant increase in the bias plus bias uncertainty because the effective sample size is reduced, and therefore the algorithm, needing to meet sample size requirements, expands the benchmark experiment population by accepting less similar benchmark experiments that would have otherwise not been included.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Scattering Properties and Brightness Temperatures Associated with Solid Precipitation

In the past few years, early solid precipitation detection and retrieval algorithms have been developed and shown to be applicable for snowing clouds and blizzards. NOAA has an operational snow versus rain classifier based on AMSU-B observations. Solid precipitation retrieval algorithms reported in the literature over the past two years include those that rely on neural nets, statistics, or physical relationships. All of the algorithms require the use of millimeter-wave radiometer observations. The millimeter-wave frequencies are especially sensitive to the scattering and emission properties of frozen particles due to the ice particle refractive index. Passive radiometric channels respond to both the integrated particle mass throughout the volume and field of view, and to the amount, location, and size distribution of the frozen (and liquid) particles with the sensitivity varying for different frequencies and hydrometeor types. This investigation probes the sensitivity of scattering and absorption coefficients, and hence computed brightness temperatures, resulting from variations in solid precipitation cloud profiles. The first study compares the single scattering, absorption, and asymmetry parameters associated with snow particles in clouds. Several methodologies are used to convert the physical characteristics (e.g., shape, size distributions, ice-air-water ratios) of ice particles to electromagnetic properties (e.g., absorption, scattering, and asymmetry factors). These methodologies include: conversion to solid ice particles, homogeneous dielectric mixing, or discrete dipole approximation. Changes in the conversion methodology can produce computed brightness temperature differences greater than 50 Kelvin.

Skofronick-Jackson, Gail M.↗

Advanced piloted aircraft flight control system design methodology. Volume 1: Knowledge base

The development of a comprehensive and electric methodology for conceptual and preliminary design of flight control systems is presented and illustrated. The methodology is focused on the design stages starting with the layout of system requirements and ending when some viable competing system architectures (feedback control structures) are defined. The approach is centered on the human pilot and the aircraft as both the sources of, and the keys to the solution of, many flight control problems. The methodology relies heavily on computational procedures which are highly interactive with the design engineer. To maximize effectiveness, these techniques, as selected and modified to be used together in the methodology, form a cadre of computational tools specifically tailored for integrated flight control system preliminary design purposes. While theory and associated computational means are an important aspect of the design methodology, the lore, knowledge and experience elements, which guide and govern applications are critical features. This material is presented as summary tables, outlines, recipes, empirical data, lists, etc., which encapsulate a great deal of expert knowledge. Much of this is presented in topical knowledge summaries which are attached as Supplements. The composite of the supplements and the main body elements constitutes a first cut at a a Mark 1 Knowledge Base for manned-aircraft flight control.

Mcruer, Duane T.↗

Infrared algorithm development for ocean observations with EOS/MODIS

Efforts continue under this contract to develop algorithms for the computation of sea surface temperature (SST) from MODIS infrared retrievals. This effort includes radiative transfer modeling, comparison of in situ and satellite observations, development and evaluation of processing and networking methodologies for algorithm computation and data accession, evaluation of surface validation approaches for IR radiances, and participation in MODIS (project) related activities. Efforts in this contract period have focused on radiative transfer modeling and evaluation of atmospheric path radiance efforts on SST estimation, exploration of involvement in ongoing field studies, evaluation of new computer networking strategies, and objective analysis approaches.

Brown, Otis B.↗