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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Evaluation of concentrated space solar arrays using computer modeling

A general approach is developed for predicting the power output of a concentrator enhanced photovoltaic space array. A ray trace routine determines the concentrator intensity arriving at each solar cell. An iterative calculation determines the cell's operating temperature since cell temperature and cell efficiency are functions of one another. The end result of the iterative calculation is that the individual cell's power output is determined as a function of temperature and intensity. Circuit output is predicted by combining the individual cell outputs using the single diode model of a solar cell. Concentrated array characteristics such as uniformity of intensity and operating temperature at various points across the array are examined using computer modeling techniques. An illustrative example is given showing how the output of an array can be enhanced using solar concentration techniques.

Rockey, D. E.↗
NASA NTRS2016

Benchmarking of Computational Models for NDE and SHM of Composites

Ultrasonic wave phenomena constitute the leading physical mechanism for nondestructive evaluation (NDE) and structural health monitoring (SHM) of solid composite materials such as carbon-fiber-reinforced polymer (CFRP) laminates. Computational models of ultrasonic guided-wave excitation, propagation, scattering, and detection in quasi-isotropic laminates can be extremely valuable in designing practically realizable NDE and SHM hardware and software with desired accuracy, reliability, efficiency, and coverage. This paper presents comparisons of guided-wave simulations for CFRP composites implemented using three different simulation codes: two commercial finite-element analysis packages, COMSOL and ABAQUS, and a custom code implementing the Elastodynamic Finite Integration Technique (EFIT). Comparisons are also made to experimental laser Doppler vibrometry data and theoretical dispersion curves.

composite materials↗
NASA NTRS1979

HEAP: Heat Energy Analysis Program, a computer model simulating solar receivers

A computer program which can distinguish between different receiver designs, and predict transient performance under variable solar flux, or ambient temperatures, etc. has a basic structure that fits a general heat transfer problem, but with specific features that are custom-made for solar receivers. The code is written in MBASIC computer language. The methodology followed in solving the heat transfer problem is explained. A program flow chart, an explanation of input and output tables, and an example of the simulation of a cavity-type solar receiver are included.

Lansing, F. L.↗
DOE OSTI2022

Coupling of multiscale imaging analysis and computational modeling for understanding thick cathode degradation mechanisms

Here, using a thick NMC811 (LiNi 0.8 Mn 0.1 Co 0.1 O 2 ) electrode as an example, we present a macro- to nanoscale 2D and 3D imaging analysis approach coupled with 4D (space + time) computational modeling to probe its degradation mechanism in a lithium-ion battery cell. Particle cracking increases and contact loss between particles and carbon-binder domain are observed to correlate with the cell degradation. This study unravels that the reaction heterogeneity within the thick cathode caused by the unbalanced electron conduction is the main cause of the battery degradation over cycling. The increased heterogeneity in the system will entail more cathode regions where the degree of active material utilization is uneven, leading to higher probabilities of particle cracking. These findings shed light on the crucial role of the electronic and ionic transportation networks in the performance deterioration of the thick cathode. They also provide guidance for cathode architecture optimization and performance improvement.

25 ENERGY STORAGE↗
NASA NTRS2015

Can We Trust Computational Modeling for Medical Applications?

Operations in extreme environments such as spaceflight pose human health risks that are currently not well understood and potentially unanticipated. In addition, there are limited clinical and research data to inform development and implementation of therapeutics for these unique health risks. In this light, NASA's Human Research Program (HRP) is leveraging biomedical computational models and simulations (M&S) to help inform, predict, assess and mitigate spaceflight health and performance risks, and enhance countermeasure development. To ensure that these M&S can be applied with confidence to the space environment, it is imperative to incorporate a rigorous verification, validation and credibility assessment (VV&C) processes to ensure that the computational tools are sufficiently reliable to answer questions within their intended use domain. In this presentation, we will discuss how NASA's Integrated Medical Model (IMM) and Digital Astronaut Project (DAP) have successfully adapted NASA's Standard for Models and Simulations, NASA-STD-7009 (7009) to achieve this goal. These VV&C methods are also being leveraged by organization such as the Food and Drug Administration (FDA), National Institute of Health (NIH) and the American Society of Mechanical Engineers (ASME) to establish new M&S VV&C standards and guidelines for healthcare applications. Similarly, we hope to provide some insight to the greater aerospace medicine community on how to develop and implement M&S with sufficient confidence to augment medical research and operations.

Mulugeta, Lealem↗
NASA NTRS2015

Credibility Assessment of Deterministic Computational Models and Simulations for Space Biomedical Research and Operations

Human missions beyond low earth orbit to destinations, such as to Mars and asteroids will expose astronauts to novel operational conditions that may pose health risks that are currently not well understood and perhaps unanticipated. In addition, there are limited clinical and research data to inform development and implementation of health risk countermeasures for these missions. Consequently, NASA's Digital Astronaut Project (DAP) is working to develop and implement computational models and simulations (M&S) to help predict and assess spaceflight health and performance risks, and enhance countermeasure development. In order to effectively accomplish these goals, the DAP evaluates its models and simulations via a rigorous verification, validation and credibility assessment process to ensure that the computational tools are sufficiently reliable to both inform research intended to mitigate potential risk as well as guide countermeasure development. In doing so, DAP works closely with end-users, such as space life science researchers, to establish appropriate M&S credibility thresholds. We will present and demonstrate the process the DAP uses to vet computational M&S for space biomedical analysis using real M&S examples. We will also provide recommendations on how the larger space biomedical community can employ these concepts to enhance the credibility of their M&S codes.

Mulugeta, Lealem↗
NASA NTRS1993

The use of computer models to predict temperature and smoke movement in high bay spaces

The Building and Fire Research Laboratory (BFRL) was given the opportunity to make measurements during fire calibration tests of the heat detection system in an aircraft hangar with a nominal 30.4 (100 ft) ceiling height near Dallas, TX. Fire gas temperatures resulting from an approximately 8250 kW isopropyl alcohol pool fire were measured above the fire and along the ceiling. The results of the experiments were then compared to predictions from the computer fire models DETACT-QS, FPETOOL, and LAVENT. In section A of the analysis conducted, DETACT-QS AND FPETOOL significantly underpredicted the gas temperature. LAVENT at the position below the ceiling corresponding to maximum temperature and velocity provided better agreement with the data. For large spaces, hot gas transport time and an improved fire plume dynamics model should be incorporated into the computer fire model activation routines. A computational fluid dynamics (CFD) model, HARWELL FLOW3D, was then used to model the hot gas movement in the space. Reasonable agreement was found between the temperatures predicted from the CFD calculations and the temperatures measured in the aircraft hangar. In section B, an existing NASA high bay space was modeled using the CFD model. The NASA space was a clean room, 27.4 m (90 ft) high with forced horizontal laminar flow. The purpose of this analysis is to determine how the existing fire detection devices would respond to various size fires in the space. The analysis was conducted for 32 MW, 400 kW, and 40 kW fires.

Notarianni, Kathy A.↗
DOE OSTI2022

Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

The design and development of fully functional Molten-Salt Reactors (MSR) require detailed knowledge of the molten salt properties in order to understand and predict the salt’s behavior. Fundamental properties of interest include molecular structure, speciation, and dynamics (such as diffusion coefficients) of salt components and dissolved corrosion and fission products. Computer modeling is necessary to predict changes in physical and chemical properties due to irradiation, burning of dissolved fuel, and corrosion. The modeling requires experimental data, and advanced neutron and x-ray scattering and spectroscopy provide the most reliable and direct determination of the structure (Pair-Distribution Functions, PDF), and dynamics of ions in the melt. This project dealt with both fluoride and chloride salts. The PDFs have been measured by a combination of neutron and x-ray diffraction. We utilized the techniques of isotope substitutions, a very powerful tool available for neutron-scattering, to extract the details of the liquid structure. Although similar measurements have been done before, modern advanced neutron and x-ray-scattering techniques allow collecting the data at much higher resolution and in a wider range of temperatures. Importantly, we were among the first to study fluoride salts by neutron scattering. The importance of impurities and their effects on salt properties have become apparent recently and so new methods of salt purification were developed. We took advantage of these developments to produce reliable data, which have been used for computer simulations of both clean salts and those with added fission and corrosion products most relevant for MSRs. Ab initio molecular dynamics simulations have been performed to understand the multi-component liquid solution, in particular solubility of impurities and thermodynamic interactions in relation to the ionic-cluster structure of the fluid. We applied machine learning to regress from the simulation and experimental data in order to develop a fast-acting model that can handle molten salt with an arbitrary (≥ 10) number of chemical elements and be able to predict chemical potential as a function of composition and temperature. This project resulted in a number of experimental and computer-simulation publications, a patent application, and numerous conference presentations (American Physical Society, American Chemical Society, and The Electrochemical Society among others). Multiple students and postdocs participated and collaborated on aspects of this project. This project seeded new collaborations between MIT and other institutions, such as the University of Massachusetts Lowell, the University of Illinois Urbana-Champaign, the University of California Berkeley, and Oak Ridge and Los Alamos National Labs. As such, this project has had a broad and lasting impact beyond its original scientific scope.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Computational Model for Microballistic Perforation of Multilayer Graphene

The peridynamic theory of solid mechanics is applied to the continuum modeling of the impact of small, high-velocity silica spheres on multilayer graphene targets. The model treats the laminate as a brittle elastic membrane. The material model includes separate failure criteria for the initial rupture of the membrane and for propagating cracks. Material variability is incorporated by assigning random variations in elastic properties within Voronoi cells. The computational model is shown to reproduce the primary aspects of the response observed in experiments, including the growth of a family of radial cracks from the point of impact.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bayesian optimization for inverse calibration of expensive computer models: A case study for Johnson-Cook model in machining

Inverse model calibration for identifying the constitutive model parameters can be computationally demanding for expensive-to-evaluate simulation models. Here, this paper presents a modified Bayesian optimization (BO) method, denoted as BO-bound, that incorporates theoretical bounds on the quantity of interest. A case study for the inverse calibration of the Johnson Cook (J-C) flow stress model parameters is presented using machining (cutting) force data. The results show fast calibration of the five J-C parameters within 25 simulations. In general, the BO-bound method is applicable for inverse calibration of any expensive simulation models as well as optimization problems with known bounds.

Bayesian optimization↗
NASA NTRS2000

Evaluation of a Computational Model of Situational Awareness

Although the use of the psychological construct of situational awareness (SA) assists researchers in creating a flight environment that is safer and more predictable, its true potential remains untapped until a valid means of predicting SA a priori becomes available. Previous work proposed a computational model of SA (CSA) that sought to Fill that void. The current line of research is aimed at validating that model. The results show that the model accurately predicted SA in a piloted simulation.

Burdick, Mark D.↗
NASA NTRS1990

A computer model of the electrostatic positioning system

Positioning systems based upon electrstatic forces are being developed for the containerless processing of materials that cannot use acoustic or electromagnetic positioning techniques. Currently, electrode configurations for these electrostatic systems are designed on the basis of approximate analytical calculations and past experience. A three dimensional computer model is being developed that will predict the electrostatic fields and forces for a given electrode configuration and will allow for a more rapid evaluation of proposed designs. Early results of this model are presented.

Gutt, G. M.↗
DOE OSTI2025

Quantifying Impacts of Biomass Pelletization on Fast Pyrolysis Using a Single-Particle Reactor, X-ray Computed Tomography, and Computational Modeling

The pore structure and density of lignocellulosic feedstocks dictate intraparticle transport phenomena and thereby play an important role in thermochemical conversion processes such as fast pyrolysis for biofuel and biochemical production. Variations in microstructure are inherent from different biomass species and can be introduced by preprocessing techniques such as cutting and pelletization. Morphological changes also occur during conversion and lead to vastly different pore structures and behavior during pyrolysis, which impact required conversion times and product distributions. The current work presents a comprehensive comparison of fast pyrolysis of neat and pelletized pine feedstocks, which includes single-particle experiments, modeling, and 3D imaging by X-ray computed tomography (XCT). The particle-scale model included anisotropic heat and mass transport in a shrinking particle with pyrolysis reactions based on the CRECK mechanism with boundary conditions informed by reactor-scale simulations of the single-particle reactor. The models were validated by measurements of the temperature and mass loss from single-particle pyrolysis experiments of neat and pelletized pine. Quantitative analysis of XCT geometries revealed that pyrolytic conversion yielded chars with increased porosity and permeability compared to the unpyrolyzed materials, along with decreased tortuosity and anisotropy. Pelletization of the pine feedstock resulted in a much denser, less permeable material, which converted slower and produced more residual char after pyrolysis compared to neat pine. The results from particle modeling revealed that accounting for the dynamic and anisotropic heat and mass transport caused by differences in pore structure is critical to achieving agreement with experimental results. Overall, this study highlights the dramatic differences in conversion behavior imparted by pelletization and the importance of capturing microstructural attributes in computational models to guide the design and optimization of pyrolysis processes for specific biomass feedstocks.

09 BIOMASS FUELS↗
NASA NTRS2018

Computational Model Prediction and Biological Validation Using Simplified Mixed Field Exposures for the Development of a GCR Reference Field

The yield of chromosomal aberrations has been shown to increase in the lymphocytes of astronauts after long-duration missions of several months in space. Chromosome exchanges, especially translocations, are positively correlated with many cancers and are therefore a potential biomarker of cancer risk associated with radiation exposure. Although extensive studies have been carried out on the induction of chromosomal aberrations by low- and high-LET radiation in human lymphocytes, fibroblasts, and epithelial cells exposed in vitro, there is a lack of data on chromosome aberrations induced by low dose-rate chronic exposure and mixed field beams such as those expected in space. Chromosome aberration studies at NSRL will provide the biological validation needed to extend the computational models over a broader range of experimental conditions (more complicated mixed fields leading up to the galactic cosmic rays (GCR) simulator), helping to reduce uncertainties in radiation quality effects and dose-rate dependence in cancer risk models. These models can then be used to answer some of the open questions regarding requirements for a full GCR reference field, including particle type and number, energy, dose rate, and delivery order. In this study, we designed a simplified mixed field beam with a combination of proton, helium, oxygen, and iron ions with shielding or proton, helium, oxygen, and titanium without shielding. Human fibroblasts cells were irradiated with these mixed field beam as well as each single beam with acute and chronic dose rate, and chromosome aberrations (CA) were measured with 3-color fluorescent in situ hybridization (FISH) chromosome painting methods. Frequency and type of CA induced with acute dose rate and chronic dose rates with single and mixed field beam will be discussed. A computational chromosome and radiation-induced DNA damage model, BDSTRACKS (Biological Damage by Stochastic Tracks), was updated to simulate various types of CA induced by acute exposures of the mixed field beams used for the experiments. The chromosomes were simulated by a polymer random walk algorithm with restrictions to their respective domains in the nucleus [1]. The stochastic dose to the nucleus was calculated with the code RITRACKS [2]. Irradiation of a target volume by a mixed field of ions was implemented within RITRACKs, and the fields of ions can be delivered over specific periods of time, allowing the simulation of dose-rate effects. Similarly, particles of various types and energies extracted from a pre-calculated spectra of galactic cosmic rays (GCR) can be used in RITRACKS. The number and spatial location of DSBs (DNA double-strand breaks) were calculated in BDSTRACKS using the simulated chromosomes and local (voxel) dose. Assuming that DSBs led to chromosome breaks, and simulating the rejoining of damaged chromosomes occurring during repair, BDSTRACKS produces the yield of various types of chromosome aberrations as a function of time (only final yields are presented). A comparison between experimental and simulation results will be shown.

Hada, M.↗
DOE OSTI2022

In Situ X-ray Radiography and Computational Modeling to Predict Grain Morphology in $\beta$-Titanium during Simulated Additive Manufacturing

The continued development of metal additive manufacturing (AM) has expanded the engineering metallic alloys for which these processes may be applied, including beta-titanium alloys with desirable strength-to-density ratios. To understand the response of beta-titanium alloys to AM processing, solidification and microstructure evolution needs to be investigated. In particular, thermal gradients (Gs) and solidification velocities (Vs) experienced during AM are needed to link processing to microstructure development, including the columnar-to-equiaxed transition (CET). In this work, in situ synchrotron X-ray radiography of the beta-titanium alloy Ti-10V-2Fe-3Al (wt.%) (Ti-1023) during simulated laser-powder bed fusion (L-PBF) was performed at the Advanced Photon Source at Argonne National Laboratory, allowing for direct determination of Vs. Two different computational modeling tools, SYSWELD and FLOW-3D, were utilized to investigate the solidification conditions of spot and raster melt scenarios. The predicted Vs obtained from both pieces of computational software exhibited good agreement with those obtained from in situ synchrotron X-ray radiography measurements. The model that accounted for fluid flow also showed the ability to predict trends unobservable in the in situ synchrotron X-ray radiography, but are known to occur during rapid solidification. A CET model for Ti-1023 was also developed using the Kurz–Giovanola–Trivedi model, which allowed modeled Gs and Vs to be compared in the context of predicted grain morphologies. Both pieces of software were in agreement for morphology predictions of spot-melts, but drastically differed for raster predictions. The discrepancy is attributable to the difference in accounting for fluid flow, resulting in magnitude-different values of Gs for similar Vs.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Computational Models of Exercise on the Advanced Resistance Exercise Device (ARED)

Muscle and bone loss remain a concern for crew returning from space flight. The advanced resistance exercise device (ARED) is used for on-orbit resistance exercise to help mitigate these losses. However, characterization of how the ARED loads the body in microgravity has yet to be determined. Computational models allow us to analyze ARED exercise in both 1G and 0G environments. To this end, biomechanical models of the squat, single-leg squat, and deadlift exercise on the ARED have been developed to further investigate bone and muscle forces resulting from the exercises.

Newby, Nate↗
NASA NTRS1983

Computer modeling of heat pipe performance

A parametric study of the defining equations which govern the steady state operational characteristics of the Grumman monogroove dual passage heat pipe is presented. These defining equations are combined to develop a mathematical model which describes and predicts the operational and performance capabilities of a specific heat pipe given the necessary physical characteristics and working fluid. Included is a brief review of the current literature, a discussion of the governing equations, and a description of both the mathematical and computer model. Final results of preliminary test runs of the model are presented and compared with experimental tests on actual prototypes.

Peterson, G. P.↗