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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

An investigation of design optimization using a 2-D viscous flow code with multigrid

Computational fluid dynamics (CFD) codes have advanced to the point where they are effective analytical tools for solving flow fields around complex geometries. There is also a need for their use as a design tool to find optimum aerodynamic shapes. In the area of design, however, a difficulty arises due to the large amount of computer resources required by these codes. It is desired to streamline the design process so that a large number of design options and constraints can be investigated without overloading the system. There are several techniques which have been proposed to help streamline the design process. The feasibility of one of these techniques is investigated. The technique under consideration is the interaction of the geometry change with the flow calculation. The problem of finding the value of camber which maximizes the ratio of lift over drag for a particular airfoil is considered. In order to test out this technique, a particular optimization problem was tried. A NACA 0012 airfoil was considered at free stream Mach number of 0.5 with a zero angle of attack. Camber was added to the mean line of the airfoil. The goal was to find the value of camber for which the ratio of lift over drag is a maximum. The flow code used was FLOMGE which is a two dimensional viscous flow solver which uses multigrid to speed up convergence. A hyperbolic grid generation program was used to construct the grid for each value of camber.

Doria, Michael L.↗
NASA NTRS1990

Scoping estimates of the LDEF satellite induced radioactivity

The Long Duration Exposure Facility (LDEF) satellite was recovered after almost six years in space. It was well-instrumented with ionizing radiation dosimeters, including thermoluminescent dosimeters, plastic nuclear track detectors, and a variety of metal foil samples for measuring nuclear activation products. The extensive LDEF radiation measurements provide the type of radiation environments and effects data needed to evaluate and help resolve uncertainties in present radiation models and calculational methods. A calculational program was established to aid in LDEF data interpretation and to utilize LDEF data for assessing the accuracy of current models. A summary of the calculational approach is presented. The purpose of the reported calculations is to obtain a general indication of: (1) the importance of different space radiation sources (trapped, galactic, and albedo protons, and albedo neutrons); (2) the importance of secondary particles; and (3) the spatial dependence of the radiation environments and effects expected within the spacecraft. The calculational method uses the High Energy Transport Code (HETC) to estimate the importance of different sources and secondary particles in terms of fluence, absorbed dose in tissue and silicon, and induced radioactivity as a function of depth in aluminum.

Armstrong, Tony W.↗
NASA NTRS1989

Computer simulation of radiation damage in gallium arsenide

A version of the binary-collision simulation code MARLOWE was used to study the spatial characteristics of radiation damage in proton and electron irradiated gallium arsenide. Comparisons made with the experimental results proved to be encouraging.

Stith, John J.↗
NASA NTRS1993

Gratings and waveguides

Our immediate objective is to understand the limitations of guided-wave and grating coupler devices in their application to optical data storage. Our long-range goal is to develop and validate design codes for integrated optic devices. The principal research activity was in the development of numerical models for the design of a blue wavelength integrated optical source for data storage applications.

Bates, K. A.↗
NASA NTRS1993

Comparison of single event upset rates for microelectronic memory devices during interplanetary solar particle events

Variability in the methods and models used for single event upset calculations in microelectronic memory devices can lead to a range of possible upset rates. Using heavy ion and proton data for selected DRAM and SRAM memories, we have calculated an array of upset rates in order to compare the Adams worst case interplanetary solar flare model to a model proposed by scientists at the Jet Propulsion Laboratory. In addition, methods of upset rate calculation are compared: the Cosmic Ray Effects on Microelectronics CREME code and a Monte Carlo algorithm developed at the Applied Physics Laboratory. The results show that use of a more realistic, although still conservative, model of the space environment can have significant cost saving benefits.

Mckerracher, P. L.↗
NASA NTRS1993

Probabilistic material degradation under high temperature, fatigue, and creep

A methodology has been developed and embodied in two computer codes for quantitatively characterizing the material strength degradation of aerospace propulsion system structural components that are subjected to various random effects over the course of their service lives. The codes, PROMISS and PROMISC, constitute a material-resistance model that is used in the NESSUS aerospace structural-reliability program. NESSUS addresses the service life-reducing effects of high temperature, mechanical fatigue, and creep.

Boyce, L.↗
NASA NTRS1994

Spin glasses and error-correcting codes

In this article, we study a model for error-correcting codes that comes from spin glass theory and leads to both new codes and a new decoding technique. Using the theory of spin glasses, it has been proven that a simple construction yields a family of binary codes whose performance asymptotically approaches the Shannon bound for the Gaussian channel. The limit is approached as the number of information bits per codeword approaches infinity while the rate of the code approaches zero. Thus, the codes rapidly become impractical. We present simulation results that show the performance of a few manageable examples of these codes. In the correspondence that exists between spin glasses and error-correcting codes, the concept of a thermal average leads to a method of decoding that differs from the standard method of finding the most likely information sequence for a given received codeword. Whereas the standard method corresponds to calculating the thermal average at temperature zero, calculating the thermal average at a certain optimum temperature results instead in the sequence of most likely information bits. Since linear block codes and convolutional codes can be viewed as examples of spin glasses, this new decoding method can be used to decode these codes in a way that minimizes the bit error rate instead of the codeword error rate. We present simulation results that show a small improvement in bit error rate by using the thermal average technique.

Belongie, M. L.↗
NASA NTRS1997

Computational Investigation of Experimental Interaction Impedance Obtained by Perturbation for Helical Traveling-Wave Tube Structures

Conventional methods used to measure the cold-test interaction impedance of helical slow-wave structures involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit. It has been shown that the difference in resonant frequency or axial phase shift between the perturbed and unperturbed circuits can be related to the interaction impedance. However, because of the complex configuration of the helical circuit, deriving this relationship involves-several approximations. With the advent of accurate three- dimensional helical circuit models, these standard approximations can be fully investigated. This paper addresses the most prominent approximations made in the analysis for measured interaction impedance by Lagerstrom and investigates their accuracy using the three-dimensional simulation code MAFIA. It is shown that a more accurate value of interaction impedance can be obtained by using three-dimensional computational methods rather than performing costly and time consuming experimental cold-test measurements.

Kory, Carol L.↗
NASA NTRS2000

Effects of adaptation of vestibulo-ocular reflex function on manual target localization

The goal of the present study was to determine if adaptive modulation of vestibulo-ocular reflex (VOR) function is associated with commensurate alterations in manual target localization. To measure the effects of adapted VOR on manual responses we developed the Vestibular-Contingent Pointing Test (VCP). In the VCP test, subjects pointed to a remembered target following passive whole body rotation in the dark. In the first experiment, subjects performed VCP before and after wearing 0.5X minifying lenses that adaptively attenuate horizontal VOR gain. Results showed that adaptive reduction in horizontal VOR gain was accompanied by a commensurate change in VCP performance. In the second experiment, bilaterally labyrinthine deficient (LD) subjects were tested to confirm that vestibular cues were central to the spatial coding of both eye and hand movements during VCP. LD subjects performed significantly worse than normal subjects. These results demonstrate that adaptive change in VOR can lead to alterations in manual target localization.

NASA Center JSC↗
NASA NTRS2014

Injury Surveillance Among NASA Astronauts Using the Barell Injury Diagnosis Matrix

Astronauts perform physically demanding tasks and risk incurring musculoskeletal injuries during both groundbased training and missions. Increased injury rates throughout the history of the U.S. space program have been attributed to numerous factors, including an aging astronaut corps, increased Weightless Environment Training Facility (WETF) and Neutral Buoyancy Laboratory (NBL) training to construct the International Space Station, and improved clinical operations that promote injury prevention and reporting. With NASA program changes through the years (including retirement of the Shuttle program) and an improved training environment (including a new astronaut gym), there is no surveillance program to systematically track injury rates. A limited number of research projects have been conducted over the past 20 years to evaluate musculoskeletal injuries: (1) to evaluate orthopedic injuries from 1987 to 1995, (2) to describe upper extremity injuries, (3) to evaluate EVA spacesuit training related injuries, and (4) to evaluate in-flight musculoskeletal injuries. Nevertheless, there has been no consistently performed comprehensive assessment of musculoskeletal injuries among astronauts. The Barell Injury Diagnosis Matrix was introduced at the 2001 meeting of the International Collaborative Effort (ICE) on Injury Statistics. The Matrix proposes a standardized method of classifying body region by nature of injury. Diagnoses are coded using the International Classification of Diseases, Ninth Revision, Clinical Modification (ICD-9-CM) coding system. The purpose of this study is to assess the usefulness and complexity of the Barell Injury Diagnosis Matrix to classify and track musculoskeletal injuries among NASA astronauts.

Murray, J. D.↗
NASA NTRS2016

Tool for Generation of MAC/GMC Representative Unit Cell for CMC/PMC Analysis

This document describes a recently developed analysis tool that enhances the resident capabilities of the Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC) 4.0. This tool is especially useful in analyzing ceramic matrix composites (CMCs), where higher fidelity with improved accuracy of local response is needed. The tool, however, can be used for analyzing polymer matrix composites (PMCs) as well. MAC/GMC 4.0 is a composite material and laminate analysis software developed at NASA Glenn Research Center. The software package has been built around the concept of the generalized method of cells (GMC). The computer code is developed with a user friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermomechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The primary focus of the current effort is to provide a graphical user interface (GUI) capability that generates a number of different user-defined repeating unit cells (RUCs). In addition, the code has provisions for generation of a MAC/GMC-compatible input text file that can be merged with any MAC/GMC input file tailored to analyze composite materials. Although the primary intention was to address the three different constituents and phases that are usually present in CMCs-namely, fibers, matrix, and interphase-it can be easily modified to address two-phase polymer matrix composite (PMC) materials where an interphase is absent. Currently, the tool capability includes generation of RUCs for square packing, hexagonal packing, and random fiber packing as well as RUCs based on actual composite micrographs. All these options have the fibers modeled as having a circular cross-sectional area. In addition, a simplified version of RUC is provided where the fibers are treated as having a square cross section and are distributed randomly. This RUC facilitates a speedy analysis using the higher fidelity version of GMC known as HFGMC. The first four mentioned options above support uniform subcell discretization. The last one has variable subcell sizes due to the primary intention of keeping the RUC size to a minimum to gain the speed ups using the higher fidelity version of MAC. The code is implemented within the MATLAB (The Mathworks, Inc., Natick, MA) developmental framework; however, a standalone application that does not need a priori MATLAB installation is also created with the aid of the MATLAB compiler.

Materials Engineering↗
DOE OSTI2024

Adaptive gene loss in the common bean pan-genome during range expansion and domestication

The common bean ( Phaseolus vulgaris L.) is a crucial legume crop and an ideal evolutionary model to study adaptive diversity in wild and domesticated populations. Here, we present a common bean pan-genome based on five high-quality genomes and whole-genome reads representing 339 genotypes. It reveals ~234 Mb of additional sequences containing 6,905 protein-coding genes missing from the reference, constituting 49% of all presence/absence variants (PAVs). More non-synonymous mutations are found in PAVs than core genes, probably reflecting the lower effective population size of PAVs and fitness advantages due to the purging effect of gene loss. Our results suggest pan-genome shrinkage occurred during wild range expansion. Selection signatures provide evidence that partial or complete gene loss was a key adaptive genetic change in common bean populations with major implications for plant adaptation. The pan-genome is a valuable resource for food legume research and breeding for climate change mitigation and sustainable agriculture.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

An IIPG-based finite element framework in MOOSE for modeling fiber reinforced composite failure governed by extrinsic cohesive laws

Fiber reinforced composites (FRC) are widely applied to many important engineering structures such as silicon carbide ceramic matrix composite (SiC CMC) of nuclear fuel claddings. Many material and structure failures are initiated at the interface between two distinctive materials, such as the debonding of interfaces of matrix/fiber of composites or bulk matrix/inclusion in metals at micro-scales. Accurate and robust modeling of these interface failures is critical to the development of novel material and structure with improved functionality. This paper presents a discontinuous Galerkin (DG) finite element method based on the Incomplete Interior Penalty scheme and its implementation in MOOSE for modeling material interface behaviors. The proposed method naturally accommodates important extrinsic cohesive zone material models and is capable of modeling the failures of material interfaces across which material properties are highly distinctive. We demonstrate a good performance of the proposed method using single fiber and multiple fiber debonding problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2005

INTEGRAL/SPI Limits on Electron-Positron Annihilation Radiation from the Galactic Plane

The center of our Galaxy is a known strong source of electron-positron 511- keV annihilation radiation. Thus far, however, there have been no reliable detections of annihilation radiation outside of the central radian of our Galaxy. One of the primary objectives of the INTEGRAL (INTErnational Gamma-RAy Astrophysics Laboratory) mission, launched in Oct. 2002, is the detailed study of this radiation. The Spectrometer on INTEGRAL (SPI) is a high resolution coded-aperture gamma-ray telescope with an unprecedented combination of sensitivity, angular resolution and energy resolution. We report results from the first 10 months of observation. During this period a significant fraction of the observing time was spent in or near the Galactic Plane. No positive annihilation flux was detected outside of the central region (|l| greater than 40 degrees) of our Galaxy. In this paper we describe the observations and data analysis methods and give limits on the 511-keV flux.

Teegarden, B. J.↗
DOE OSTI2020

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

TurboRVB is a computational package for ab initio Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC) and diffusion Monte Carlo in its robust and efficient lattice regularized variant. A key feature of the code is the possibility of using strongly correlated many-body wave functions (WFs), capable of describing several materials with very high accuracy, even when standard mean-field approaches [e.g., density functional theory (DFT)] fail. The electronic WF is obtained by applying a Jastrow factor, which takes into account dynamical correlations, to the most general mean-field ground state, written either as an antisymmetrized geminal power with spin-singlet pairing or as a Pfaffian, including both singlet and triplet correlations. This WF can be viewed as an efficient implementation of the so-called resonating valence bond (RVB) Ansatz, first proposed by Pauling and Anderson in quantum chemistry [L. Pauling, The Nature of the Chemical Bond (Cornell University Press, 1960)] and condensed matter physics [P.W. Anderson, Mat. Res. Bull 8, 153 (1973)], respectively. The RVB Ansatz implemented in TurboRVB has a large variational freedom, including the Jastrow correlated Slater determinant as its simplest, but nontrivial case. Moreover, it has the remarkable advantage of remaining with an affordable computational cost, proportional to the one spent for the evaluation of a single Slater determinant. Therefore, its application to large systems is computationally feasible. The WF is expanded in a localized basis set. Several basis set functions are implemented, such as Gaussian, Slater, and mixed types, with no restriction on the choice of their contraction. The code implements the adjoint algorithmic differentiation that enables a very efficient evaluation of energy derivatives, comprising the ionic forces. Thus, one can perform structural optimizations and molecular dynamics in the canonical NVT ensemble at the VMC level. For the electronic part, a full WF optimization (Jastrow and antisymmetric parts together) is made possible, thanks to state-of-the-art stochastic algorithms for energy minimization. In the optimization procedure, the first guess can be obtained at the mean-field level by a built-in DFT driver. The code was efficiently parallelized by using a hybrid MPI-OpenMP protocol, which is also an ideal environment for exploiting the computational power of modern Graphics Processing Unit accelerators.

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

Nuclear excitation functions for medical isotope production: Targeted radionuclide therapy via nat IR$(d, x)$ 193m Pt

193m Pt is an Auger emitting radionuclide which may have therapeutic potential, particularly when labeled to the chemotherapeutic drug cisplatin. One challenge to broader explorations of its clinical potential is the need for production routes with high specific activity. As part of a larger campaign to address gaps in reaction data for emerging medical radionuclides, this work seeks to characterize the nat Ir(d,x) reactions as a potential production pathway for 193m Pt. A stacked target irradiation, consisting of natural iridium, iron, nickel, and copper foils, was performed using a 33 MeV deuteron beam at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. This measurement, along with previous experimental data, suggests an energy window between 11 to 18 MeV to maximize the production and radiopurity of 193m Pt. This experiment has yielded cross sections for 43 channels of deuteron-induced reactions from threshold to 30 MeV, including the first experimental results of nat Ir(d,x) 188m1+g,190m1+g Ir (cumulative), nat Ni(d,x) 56,57,58 m,58g Co (independent), nat Cu(d,x) 61 Co (cumulative) and nat Fe(d,x) 53 Fe, 48 V (cumulative). The results were compared with literature data, the TENDL-2023 database, and default theoretical calculations from the TALYS-2.04, CoH-3.6.0, EMPIRE 3.2.3, and ALICE-2020 reaction modeling codes. Here, this work presents another example of the lack of predictive capabilities for this set of modern nuclear-reaction modeling codes, and highlights the unsatisfactory modeling of experimental cross sections. Experimental data are important to improve the codes in general, and new experimental results can be used to improve the models. Finally, this measurement has revealed the need for an updated evaluation of the nat Cu(d,x) 63 Zn deuteron monitor reaction.

193mPt↗
DOE OSTI2025

PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data

Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging nontarget high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds of millions of chemicals, yet many are not relevant. This article details an extensive collaborative, open science effort to provide a dynamic collection of chemicals for environmental, metabolomics, and exposomics research, along with supporting information about their relevance to assist researchers in the interpretation of candidate hits. The PubChemLite for Exposomics collection is compiled from ten annotation categories within PubChem, enhanced with patent, literature and annotation counts, predicted partition coefficient (logP) values, as well as predicted collision cross section (CCS) values using CCSbase. Monthly versions are archived on Zenodo under a CC-BY license, supporting reproducible research, and a new interface has been developed, including historical trends of patent and literature data, for researchers to browse the collection. This article details how PubChemLite can support researchers in environmental and exposomics studies, describes efforts to increase the availability of experimental CCS values, and explores known limitations and potential for future developments. The data and code behind these efforts are openly available.

PubChem↗
DOE OSTI2026

Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water

Here, we simulate TIP4P/2005 water in the temperature range of 257 to 318 K with time-steps δ = 0.25, 0.50, 1.00, 2.00, and 4.00 fs. The density–temperature behavior obtained using 0.25 or 0.50 fs is in excellent agreement with each other but differs from those obtained using time steps that have been shown earlier to lead to a breakdown of equipartition. For δt = 0.25 or 0.50 fs, the temperature of maximum density (TMD) is 277.15 K and the density value is in close agreement with experiments. For δt = 1.00 fs, the TMD is 277.15 K, but the density value is shifted higher. For the other time steps considered here, the TMD is shifted to progressively lower values for longer time steps, a trend that holds for different thermostat/barostat combinations. Enhancing the water–water dispersion interaction, as has been recommended for simulating disordered proteins in TIP4P/2005, degrades the description of the liquid–vapor phase envelope. We present a simple physically transparent explanation that highlights the separation of the time scales between translational and rotational motion. We also develop a metric, χ, that we term the equipartition anomaly, to detect equipartition violations in simulations that include molecules that are treated as rigid objects. Calculating χ is shown to be straightforward and sensitive to equipartition violations. A key takeaway from this study is that using sufficiently short time steps (≤0.5 fs) to preserve equipartition is essential for obtaining meaningful liquid water properties and for producing reliable simulation data, as correct ensemble sampling is fundamental to ensure reproducibility across codes and simulation algorithms.

Asthagiri, Dilipkumar N. [Oak Ridge National Labor↗