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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Extant and Extinct Lunar Regolith Simulants: Modal Analyses of NU-LHT-1M and -2m, OB-1, JSC-1, JSC-1A and -1AF,FJS-1, and MLS-1

This work is part of a larger effort to compile an internally consistent database on lunar regolith (Apollo samples) and lunar regolith simulants. Characterize existing lunar regolith and simulants in terms of: a) Particle type; b) Particle size distribution; c) Particle shape distribution; d) Bulk density; and e) Other compositional characteristics. Evaluate regolith simulants (Figure of Merit) by above properties by comparison to lunar regolith (Apollo sample) This presentation covers new data on lunar simulants.

Schrader, Christian↗
DOE OSTI2016

TH-CD-202-05: DECT Based Tissue Segmentation as Input to Monte Carlo Simulations for Proton Treatment Verification Using PET Imaging

Purpose: To improve agreement of predicted and measured positron emitter yields in patients, after proton irradiation for PET-based treatment verification, using a novel dual energy CT (DECT) tissue segmentation approach, overcoming known deficiencies from single energy CT (SECT). Methods: DECT head scans of 5 trauma patients were segmented and compared to existing decomposition methods with a first focus on the brain. For validation purposes, three brain equivalent solutions [water, white matter (WM) and grey matter (GM) – equivalent with respect to their reference carbon and oxygen contents and CT numbers at 90kVp and 150kVp] were prepared from water, ethanol, sucrose and salt. The activities of all brain solutions, measured during a PET scan after uniform proton irradiation, were compared to Monte Carlo simulations. Simulation inputs were various solution compositions obtained from different segmentation approaches from DECT, SECT scans, and known reference composition. Virtual GM solution salt concentration corrections were applied based on DECT measurements of solutions with varying salt concentration. Results: The novel tissue segmentation showed qualitative improvements in %C for patient brain scans (ground truth unavailable). The activity simulations based on reference solution compositions agree with the measurement within 3–5% (4–8Bq/ml). These reference simulations showed an absolute activity difference between WM (20%C) and GM (10%C) to H2O (0%C) of 43 Bq/ml and 22 Bq/ml, respectively. Activity differences between reference simulations and segmented ones varied from −6 to 1 Bq/ml for DECT and −79 to 8 Bq/ml for SECT. Conclusion: Compared to the conventionally used SECT segmentation, the DECT based segmentation indicates a qualitative and quantitative improvement. In controlled solutions, a MC input based on DECT segmentation leads to better agreement with the reference. Future work will address the anticipated improvement of quantification accuracy in patients, comparing different tissue decomposition methods with an MR brain segmentation. Acknowledgement: DFG-MAP and HIT-Heidelberg Deutsche Forschungsgemeinschaft (MAP); Bundesministerium fur Bildung und Forschung (01IB13001)

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

Rheological transition in mantle convection with a composite temperature-dependent, non-Newtonian and Newtonian rheology

Numerical simulations of mantle convection with a composite temperature-dependent, Newtonian and non-Newtonian creep law have revealed a transition in the dominant creep mechanism with the increasing vigour of convection. Newtonian creep is found to dominate in the low Rayleigh number regime. With sufficiently high effective Rayleigh number, the overall creep mechanism in the convective flow becomes non-Newtonian. The transitional Rayleigh number increases strongly with the activation energy. These results would suggest a scenario that in the early epochs of Earth the flow in the mantle would have been governed by non-Newtonian rheology and would have exhibited both strong spatial and temporal fluctuations. With time the flow mechanism would behave like a Newtonian fluid and would have a different time-dependent character. In time-dependent Newtonian-dominated flows there are still localized features with distinctly non-Newtonian character. Our analysis of the relative contributions to the lateral viscosity field supports the idea that the inference of the nature of lateral viscosity heterogeneities by seismic tomography may be strongly contaminated by the dominant non-Newtonian contributions to the total lateral viscosity field.

Van Den Berg, Arie P.↗
DOE OSTI2016

Proposal of a Novel Approach to Developing Material Models for Micro-scale Composites Based on Testing and Modeling of Macro-scale Composites

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferred from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Evolution of Plasmaspheric Refilling from Comparisons of Satellite Observations with Simulations by an Interhemispheric Plasmasphere Model

The evolution of the plasmasphere is closely coupled to processes governing flux tube refilling and transport. In this study we follow this evolution through a series of sequential ion observations made by the Retarding Ton Mass Spectrometer (RIMS) on the Dynamics Explorer 1 (DE1) satellite and with the intervening time intervals filled in by simulations made with the Field Line Interhemispheric Plasma (FLIP) model. The period of DE1 (approx. 7 hours) is such that nearly the same flux tubes are observed every second day, or every sixth orbit. The intervening observations provide additional information regarding longitudinal variations. Since the observations are necessarily restricted to two local time passes through the plasmasphere per orbit, the FLIP code will follow the observed flux tubes as they corotate and convect through the other local times. The simulations use the initial plasmasphere observations to define initial conditions of where the plasmapause is located and the extent of filling in the plasma trough. The composite of observations and simulations allows assessment of the degree to which the FLIP simulations accurately describe the processes which govern flux tube refilling over the two-day period between observations on the same flux tubes. To the extent that the convection electric field model in the FLIP code is accurate, this composite also provides a global picture of what is happening in and near the plasmasphere during the period. Of particular interest are changes in plasma composition as refilling proceeds.

Comfort, Richard H.↗
DOE OSTI2025

Developing the Science Basis for Understanding Polymer Encapsulant Degradation Mechanisms: DuraMAT 2.0 Final Project Report

Polymeric encapsulants are essential materials in photovoltaic modules, protecting sensitive electronics from the environment while providing mechanical integrity to the multilayered assembly. However, these polymeric materials are susceptible to degradation processes driven by the ingress of environmental species, ultraviolet radiation, thermal stresses, and mechanical loading. In this study, we employ a combined atomistic simulation and accelerated aging experimental approach to study the molecular-scale mechanisms of encapsulant degradation. Classical molecular dynamics simulations quantify the diffusion of environmental and degradation species through the polymer matrix, producing composition-specific diffusion coefficients. Reactive simulations characterize activation energy barriers and reaction rate constants for key chemical pathways. In parallel, thermal-desorption analyses coupled with mass spectrometry monitor the emergence and concentration profiles of degradation products under controlled stressor conditions. By integrating simulation and experiment, we establish quantitative correlations between polymer composition, species diffusivity, and chemical reactivity. We anticipate that these relations and quantitative values could serve as high-fidelity inputs to reaction-diffusion models, enabling physics-informed lifetime predictions and guiding the design of more durable encapsulant materials for solar energy applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Prolonged Ultraviolet Radiation Exposure on the Blast Response of Fiber Reinforced Composite Plates

An experimental study with corresponding numerical simulations was conducted to evaluate the blast response of composite plates after prolonged exposure to ultraviolet radiation. Two composite materials were used in this study, namely carbon fiber/epoxy and glass fiber/vinyl ester. The composite materials consisted of four unidirectional fiber plies oriented in a [± 45°]s layup. The plates were placed in a QUV Accelerated Weathering Tester for 500 h of exposure on each face, totaling 1000 h of ultraviolet radiation exposure, equivalent to 2.5 MJ/m{sup 2} of energy. The QUV Accelerated Weathering Tester was equipped with eight UVA-340 lamps to provide real service life exposure conditions. Material characterization experiments were performed on virgin specimens, as well as specimens exposed to ultraviolet radiation for 1000 h to determine its effect on the mechanical properties of the composites. Blast experiments were conducted on the composite plates to investigate the dynamic response before and after exposure to ultraviolet radiation. The plates were clamped on all edges and subjected to an air blast using a shock tube apparatus. Three-dimensional digital image correlation was coupled with high-speed photography to obtain full-field displacements of the specimens during blast loading. Furthermore, three piezoelectric pressure transducers were mounted on the shock tube apparatus and utilized to measure the pressure history of the shock wave loading. The quasi-static material characterization showed that the tensile modulus E{sub 1} had minimal change after exposure to ultraviolet radiation for 1000 h. However, matrix-dominated properties such as the in-plane shear modulus G{sub 12} increased after exposure to ultraviolet light for both the carbon and glass fiber composites, which resulted in lower out-of-plane displacements during blast loading. For the carbon fiber plates, the forced vibration frequency induced by the transverse blast load was higher in plates exposed to ultraviolet radiation when compared to virgin specimens. However, for the glass fiber plates exposed to ultraviolet radiation, the forced vibration frequency decreased when compared to virgin specimens. Finally, the finite element simulations were in good agreement with the experimental results. The simulations revealed that the glass fiber plates exposed to ultraviolet radiation had higher failure strains at the boundary than virgin specimens, despite having higher stiffness. A parametric study in which higher loading was simulated also showed that the glass fiber plates experienced more damage after 1000 h of ultraviolet radiation exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Generation of Reversible C++ Code for Optimistic Parallel Discrete Event Simulation

The reversible execution of C/C++ code has been a target of research and engineering for more than a decade as reversible computation has become a central notion in large-scale parallel discrete event simulation (PDES). The simulation models that are implemented for PDES are of increasing complexity and size and require various language features to support abstraction, encapsulation, and composition when building a simulation model. In this paper, we focus on parallel simulation models that are written with user-defined C++ abstractions and abstractions of the C++ Standard Library. We present an approach based on incremental state saving for establishing reversibility of C++ and an evaluation for a kinetic Monte-Carlo simulation implemented in C++. Although a significant runtime overhead is introduced with our technique, it is an enormous win that it allows using the entire C++ language, and has that code automatically transformed into reversible code to enable parallel execution with the Rensselaer’s optimistic simulation system (ROSS).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Finite Element Analysis of Adaptive-Stiffening and Shape-Control SMA Hybrid Composites

The usage of shape memory materials has extended rapidly to many fields, including medical devices, actuators, composites, structures and MEMS devices. For these various applications, shape memory alloys (SMAs) are available in various forms: bulk, wire, ribbon, thin film, and porous. In this work, the focus is on SMA hybrid composites with adaptive-stiffening or morphing functions. These composites are created by using SMA ribbons or wires embedded in a polymeric based composite panel/beam. Adaptive stiffening or morphing is activated via selective resistance heating or uniform thermal loads. To simulate the thermomechanical behavior of these composites, a SMA model was implemented using ABAQUS user element interface and finite element simulations of the systems were studied. Several examples are presented which show that the implemented model can be a very useful design and simulation tool for SMA hybrid composites.

Gao, Xiu-Jie↗
DOE OSTI2023

Optimizing the Composite Cathode Microstructure in All‐Solid‐State Batteries by Structure‐Resolved Simulations

Abstract All‐solid‐state batteries are considered as an enabler for applications requiring high energy and power density. However, they still fall short of their theoretical potential due to various limitations. One issue is poor charge transport kinetics resulting from both material inherit limitations and non‐optimized design. Therefore, a better understanding of the relevant properties of the cathode microstructure is necessary to improve cell performance. In this article, we identify optimization potentials of the composite cathode by structure‐resolved electrochemical 3D‐simulations. In our simulation study, we investigate the influence of cathode active material fraction, density, particle size, and active material properties on cell performance. Special focus is set on the impact of grain boundaries on the cathode design. Based on our simulation results, we can predict target values for cell manufacturing and reveal promising optimization strategies for an improved cathode design.

25 ENERGY STORAGE↗
NASA NTRS1993

The compositional structure and the effects of exothermicity in a nonpremixed planar jet flame

Results are presented of direct numerical simulation (DNS) of a randomly perturbed compressible, spatially developing two-dimensional planar jet under the influence of a finite rate chemical reaction of the type F + O yields product. The objectives of the simulations are to assess the compositional structure of the flame and to determine the influence of reaction exothermicity by means of statistical sampling of the DNS generated data. It is shown that even with this idealized kinetics model the simulated results exhibit features in accord with experimental data. These results indicate that the Damkohler number is an important parameter in determining the statistical composition of the reacting field and that the results are not very sensitive to the mechanism by which this parameter is varied. It is demonstrated that as the intensity of mixing is increased and the effect of finite rate chemistry is more pronounced, the magnitudes of the ensemble mean and variance of the product mass fraction decrease and those of the reactants' mass fraction increase. Also, at higher mixing rates the joint probability density functions of the reactants' mass fractions shift towards higher values within the composition domain, indicating a lower reactedness.

Steinberger, C. J.↗
NASA NTRS1992

The compositional structure and the effects of exothermicity in an unpremixed planar jet flame

Results are presented of direct numerical simulations (DNS) of a randomly perturbed compressible, spatially developing planar jet under the influence of a finite rate Arrhenius chemical reaction of the type F + O yields Product + Heat. The objectives of the simulations are to assess the compositional structure of the flame and to determine the influence of reaction exothermicity by means of statistical sampling of the data generated by DNS. It is shown that even with this idealized kinetics model, the simulated results exhibit features in accordance with experimental data. These results indicate that the Damkoehler number is an important parameter in determining the statistical composition of the reacting field, and that the results are insensitive to the mechanism by which this parameter is varied. It is demonstrated that as the intensity of mixing is increased and the effect of finite rate chemistry is more pronounced, the magnitudes of the ensemble mean and rms of the product mass fraction decrease, and those of the reactants mass fraction increase. Also, at higher mixing rates the joint probability density functions of the reactants' mass fractions shift towards higher values within the composition domain indicating a lower reactedness. These trends are consistent with those observed experimentally and are very useful in portraying the statistical structure of non-equilibrium diffusion flames. The DNS generated data are also utilized to examine the applicability of the 'laminar diffusion flamelet model' in predicting the rate of the reactant conversion with finite rate chemistry. This examination indicates that the bounds of the product formation scale reasonably well with those obtained by the flamelet model. However, in the range of the relatively low values of the Damkoehler numbers considered, the scatter of the results is substantially more than that to be completely determined by the closure.

Steinberger, C. J.↗
DOE OSTI2025

Thermal mechanical assessment of a SiC-SiC-composite clad fuel pin concept in a light water reactor environment

Accident Tolerant Fuels (ATFs) are designed to increase coping time following an accident scenario while preserving or improving current steady state reactor operational performance. A potential ATF concept is SiC-SiC composite claddings. Fuel performance simulations were conducted on a SiC-SiC based cladding concept utilizing a multilayered approach for improved performance. This cladding concept referred to as the Duplex concept is a duplex structure composed of a monolithic SiC layer placed on the outside of a SiC-SiC composite. A liquid metal is added to fuel-cladding gap for improved heat dissipation from the fuel. The monolithic SiC layer is used to improve the coolant corrosion characteristics and protect the SiC-SiC composite layer from exposure to the coolant. The fuel performance code BISON was used to conduct fuel performance simulations on the cladding concepts. Comparisons are made with a current prototypic fuel rod design (UO 2 fuel enclosed in Zircaloy-4 cladding). Representative steady-state cases were considered for normal power and two cycle power histories. Additionally, a PCI ramp case was simulated to analyze potential anticipated operational occurrences. Transient response during a Loss of Coolant Accident and a Reactivity Initiated Accident were also simulated. This computational study demonstrated that for normal operating conditions, the SiC concept cladding performed as well as the baseline for the standard power cases evaluated. The ramping evaluations indicate potential fracturing of the SiC-SiC composite of the composite cladding compared to the Zircaloy-4 cladding due to the temperature gradient and the subsequent differential thermal conductivity degradation and swelling across the composite thickness. In conclusion, the rod fails early at low enthalpy for RIA but survives a LOCA with minimal material loss due to high temperature steam corrosion.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1991

Thermally-driven microfracture in high temperature metal matrix composites

Microfracture (fiber/matrix fracture, interphase debonding and interply delamination) in high temperature metal matrix composites (HTMMC), subjected to thermal loading, is computationally simulated. Both unidirectional and crossply SiC/Ti15 composites are evaluated for microfracture driven by thermal loads, using multicell finite element models. Results indicate that under thermal loads alone, microfracture propagation is not as sensitive as it is under mechanical loads.

Mital, Subodh K.↗
NASA NTRS1991

Thermally-driven microfracture in high temperature metal matrix composites

Microfracture (fiber/matrix fracture, interphase debonding and interply delamination) in high temperature metal matrix composites (HTMMC), subjected to thermal loading, is computationally simulated. Both unidirectional and crossply SiC/Ti15 composites are evaluated for microfracture driven by thermal loads, using multicell finite element models. Results indicate that under thermal loads alone, microfracture propagation is not as sensitive as it is under mechanical loads.

Mital, Subodh K.↗
DOE OSTI2016

Simulation of effects of direction and air flow speed on temperature distribution in the room covered by various roof materials

The objective of this research is to get a comparison of the distribution of the room temperature by using three materials, namely plastic-rubber composite, clay, and asbestos. The simulation used Ansys Fluent to get the temperature distribution. There were two conditions in this simulations, first the air passing beside the room and second the air passing in front of the room. Each condition will be varied with the air speed of 1 m/s, 2 m/s, 3 m/s, 4 m/s, 5 m/s for each material used. There are three heat transfers in this simulation, namely radiation, convection, and conduction. Based on the ANSI/ ASHRAE Standard 55-2004, the results of the simulation showed that the best temperature distribution was the roof of plastic-rubber composites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Visualizing the SEI formation between lithium metal and solid-state electrolyte

The solid electrolyte interphase (SEI) is regarded as the most important factor affecting the durability of lithium-metal anode in all-solid-state batteries (ASSBs). Despite its significance, the nucleation and growth mechanism of SEI is not yet well understood. Here, we elucidate the thermodynamics and kinetics governing SEI formation at the Li|β-Li 3 PS 4 interface at the atomic scale via thermodynamic phase equilibrium analysis and machine-learning-potential-assisted molecular dynamics (MD) simulations. An accurate moment tensor potential using the machine-learning method is developed for a reactive model of Li|β-Li 3 PS 4 . This potential enabled us to perform large-scale MD simulations with the model size expanded to the experimental dimensions (~40 nm) while maintaining the same level of accuracy as density functional theory calculations. The results reveal a four-stage evolution process at the Li|β-Li 3 PS 4 interface, namely (i) fast ion diffusion, (ii) nucleation, (iii) Li 2 S growth, and (iv) stabilization. Notably, we demonstrate that the SEI can be categorized into crystalline and amorphous regions. The simulated SEI thickness, structure, and composition closely match experimental findings, validating the accuracy of the MD simulations. We further disclose the significant impact of ion diffusion kinetic limitations on the phase formation and crystallization of interfacial products. Furthermore, we shed light on the detailed potential energy (PE) distribution of lithium along the direction perpendicular to the interface. Finally, this information is crucial for better understanding interfacial ion mobility.

25 ENERGY STORAGE↗
NASA NTRS2011

Evaluation of Lightning Induced Effects in a Graphite Composite Fairing Structure

Defining the electromagnetic environment inside a graphite composite fairing due to near-by lightning strikes is of interest to spacecraft developers. This effort develops a transmission-line-matrix (TLM) model with a CST Microstripes to examine induced voltages. on interior wire loops in a composite fairing due to a simulated near-by lightning strike. A physical vehicle-like composite fairing test fixture is constructed to anchor a TLM model in the time domain and a FEKO method of moments model in the frequency domain. Results show that a typical graphite composite fairing provides adequate shielding resulting in a significant reduction in induced voltages on high impedance circuits despite minimal attenuation of peak magnetic fields propagating through space in near-by lightning strike conditions.

Trout, Dawn H.↗