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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microwave Cavity Simulation Using Ansys HFSS

The design of microwave cavity detectors for axion dark matter research is often accomplished using advanced full-wave electromagnetic simulation software tools. These tools provide a cost-effective approach to evaluate a wide variety of cavity configurations, frequency tuning mechanisms, and conductive or dielectric materials and coatings. One simulation software package used for this application is Ansys High Frequency Structure Simulator (HFSS), which is based upon the well-established finite element method. HFSS includes numerous features useful for microwave cavity design such as parametric geometry modeling, adaptive meshing algorithm, curvilinear mesh elements, driven modal and eigenmode matrix solvers, and optimization algorithms. This paper describes the use of the HFSS software to simulate microwave cavities for axion haloscope detectors, with an example tutorial for a cylindrical cavity. Excellent agreement between the simulated and analytical results is shown for the resonant frequency, quality factor, and form factor.

Ansys HFSS, Cavity simulation, finite element mode↗
DOE OSTI2020

Kinetic Simulations of Microstructural Evolution (KSOME)

"Kinetic simulations of microstructural evolution" (KSOME) is an object Kinetic Monte Carlo (OMKC) simulation code. It is developed to simulate microstructural evolution in materials during irradiation. KSOME is developed from ground up with priority given to the flexibility, ease of upgradability, and computation efficiency, in that order. With previously developed simulation codes, various processes (more precisely, the diffusion-reaction processes) that can occur in a system were hardwired into the code. Hence, to perform higher fidelity simulations, a significant coding effort was required every time to incorporate either a more accurate description of existing processes or new processes. With KSOME, the necessity for frequent code upgrades whenever there is a need to perform higher fidelity simulations is either eliminated or reduced significantly. In KSOME, the categories of various diffusion-reaction processes and the data-management system are hardwired, while the execution of the diffusion-reaction processes specific to a system is specified via input files. In the present version of KSOME, the analytical expression required to calculate defect interaction radii are inputted via a text file. However, the ability to parse mathematical expressions from a text file can be extended to input the analytical expression to calculate other defect properties; including the expressions to calculate the change in the migration barriers of mobile defects due to long-range interaction with extended defects

Nandipati, Giridhar [Pacific Northwest National La↗
NASA NTRS1992

Experimental, physical and numerical modeling of lunar regolith and lunar regolith structures

An extensive series of laboratory strength and deformation experiments have been performed on a lunar regolith simulant. Results of these experiments are compared to results from experiments on real lunar regolith from the Apollo and Luna missions to illustrate the suitability of this material in capturing the engineering properties lunar regolith. In addition, these results are used to calibrate a constitutive model used to describe its stress-strain behavior. This model, in conjunction with numerical analysis techniques, is used to predict the response i.e. material parameters) of lunar simulant under 1/6-g and low confining stress conditions. These tools are also used to predict the displacement response of a lunar soil embankment structure used to cover a first generation human habitat module, which might be used to accommodate the first astronauts revisiting the moon. These predictions are compared to physical models of this structure, which are tested in a geotechnical centrifuge in order to satisfy scaling relationships between prototype and model.

Perkins, Steven W.↗
DOE OSTI2021

Demonstration of Advanced Experimental and Theoretical Characterization of Hydrogen Dynamics and Associated Behavior in Advanced Reactors

Advanced materials development, manufacturing, and modeling capabilities for innovative reactor designs support nuclear security and mission-focused science through enhanced technology for safer and more efficient and secure production of nuclear energy. The research in this project has established: 1) a state-of-the-art neutron-based hydrogen mapping and cross-section measurement capability as well as detailed crystallographic characterization of hydrogen atoms at LANSCE, and 2) a multi-physics framework for simulating behavior of moderator materials and other material performance in advanced nuclear reactors. Through the course of this project, we successfully developed and demonstrated measurement techniques for hydrogen distribution and atomistic-scale behavior of hydrogen atoms using pulsed neutron techniques. In parallel, advanced multi-physics simulation tools to predict the behavior of hydrogen atoms, e.g. in a moderator for a nuclear reactor, through materials performance, neutron transport, and thermal mechanical behavior were enhanced. Multi-discipline areas across the laboratory were involved in the project as the integration of improved experimental capabilities with enhanced modeling and simulation through MST, NEN, SIGMA, and XCP division subject matter experts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1992

Physical and digital simulations for IVA robotics

Space based materials processing experiments can be enhanced through the use of IVA robotic systems. A program to determine requirements for the implementation of robotic systems in a microgravity environment and to develop some preliminary concepts for acceleration control of small, lightweight arms has been initiated with the development of physical and digital simulation capabilities. The physical simulation facilities incorporate a robotic workcell containing a Zymark Zymate II robot instrumented for acceleration measurements, which is able to perform materials transfer functions while flying on NASA's KC-135 aircraft during parabolic manuevers to simulate reduced gravity. Measurements of accelerations occurring during the reduced gravity periods will be used to characterize impacts of robotic accelerations in a microgravity environment in space. Digital simulations are being performed with TREETOPS, a NASA developed software package which is used for the dynamic analysis of systems with a tree topology. Extensive use of both simulation tools will enable the design of robotic systems with enhanced acceleration control for use in the space manufacturing environment.

Hinman, Elaine↗
DOE OSTI2023

Development of HPC based phase field simulations tool for modification of alloy morphology to enhance material properties during additive manufacturing (AM) process

Currently, additive manufacturing (AM) technology is extensively used to manufacture aerospace components because of the unique advantages of the technique in producing custom designs, complex geometries in a near-net fashion that significantly reduces the manufacturing cost, and improved energy efficiency. However, the thermodynamic properties of existing aerospace alloys and the thermal conditions that prevail in most of the powder-bed based additive manufacturing processes lead to undesirable columnar / columnar-dendritic microstructures that promote solidification cracking during the process, and the development of anisotropy in the mechanical properties of the as-built components. Time consuming, energy-intensive post AM treatments are required to recover the mechanical properties of the wrought components for which the existing alloy compositions were designed for. However, novel alloy compositions, that exploit the AM thermal conditions to produce fine, equiaxed grain structures in the as-built condition, with mechanical properties equal to or exceeding those of the wrought work-horse alloy, Ti-6Al-4V has recently been demonstrated in Ti-Cu alloys. Significant energy savings up to 66% can be obtained for a typical aerospace component through digitally designing the AM process, process parameters, and alloy composition. The current project focused on developing a fundamental understanding of the evolution of the columnar to equiaxed transition (CET) occurring during solidification under AM thermal conditions in Ti-Cu and Ti-Cu-X alloys using high-fidelity phase field (PF) simulations using the leadership class computing facilities that exist in the national laboratories. The simulations were able to capture the effect of alloy and process conditions on CET, and clearly showed the beneficial effect of a ternary solute addition to Ti-Cu binary alloys on CET. The simulations indicated that bulk nucleation in the liquid ahead of the solidifying epitaxial front was promoted by a large, transient, thermal undercooling promoted by the mismatch between the growth rate of the dendrite tips in the epitaxial front and the imposed solidification rate. AM experiments performed at Raytheon Technologies Research Center using the same thermal conditions used in the PF simulations indicated the formation of equiaxed grains, although the grain size was bigger than the ones reported in the literature. On the other hand, the equiaxed grain size predicted by PF simulations were smaller than the grain size of Ti-Cu alloys reported in the literature. The industry will follow up the existing work in a future program that would involve further optimization of the process for the Ti-Cu-X alloys to demonstrate the application of the process and the alloy to a specific aerospace component.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Closing the loop between microstructure and charge transport in conjugated polymers by combining microscopy and simulation

A grand challenge in materials science is to identify the impact of molecular composition and structure across a range of length scales on macroscopic properties. We demonstrate a unified experimental–theoretical framework that coordinates experimental measurements of mesoscale structure with molecular-level physical modeling to bridge multiple scales of physical behavior. Here we apply this framework to understand charge transport in a semiconducting polymer. Spatially-resolved nanodiffraction in a transmission electron microscope is combined with a self-consistent framework of the polymer chain statistics to yield a detailed picture of the polymer microstructure ranging from the molecular to device relevant scale. Using these data as inputs for charge transport calculations, the combined multiscale approach highlights the underrepresented role of defects in existing transport models. Short-range transport is shown to be more chaotic than is often pictured, with the drift velocity accounting for a small portion of overall charge motion. Local transport is sensitive to the alignment and geometry of polymer chains. At longer length scales, large domains and gradual grain boundaries funnel charges preferentially to certain regions, creating inhomogeneous charge distributions. While alignment generally improves mobility, these funneling effects negatively impact mobility. The microstructure is modified in silico to explore possible design rules, showing chain stiffness and alignment to be beneficial while local homogeneity has no positive effect. This combined approach creates a flexible and extensible pipeline for analyzing multiscale functional properties and a general strategy for extending the accesible length scales of experimental and theoretical probes by harnessing their combined strengths.

42 ENGINEERING↗
DOE OSTI2026

Energy Impact of Radiative Cooling Paints in Warehouses Under Various United States Climates

Although radiative cooling research is widely found in the literature, no comprehensive study has yet been conducted on the impact of novel radiant cooling (>0.91 reflectance) on the energy efficiency of warehouses. Here, in this work, we develop three building models based on a Department of Energy prototype warehouse model using trnsys, representing a typical warehouse with a black roof, a typical warehouse with a white roof, and a warehouse with novel radiative cooling (RC) paint on its roof. These models are run for 15 different cities, each representative of a different ASHRAE climate zone, to better understand the impact of RC in many different climates. It was found that an RC-coated roof in a warehouse could reduce the building's annual heating, ventilation, and air conditioning (HVAC) loads by up to 14.11 kWh/m 2 of the roof area compared to a black roof, resulting in a maximum reduction in energy costs of 0.55 $\$$/m 2 or $\$$2646/year for a large 4835 m 2 warehouse. Similarly, replacing the typical white roof coating with an RC coating could reduce the warehouse's energy consumption by up to 8.17 kWh/ m 2 of roof area, thus reducing energy costs by as much as 0.29 $\$$/m 2 or $\$$1386/year for a 4835 m 2 warehouse. In addition, applying RC paint to an unconditioned warehouse could reduce the building's ASHRAE Standard 55 indoor temperature exceedance by up to 1330 h/year compared to a black roof and up to 532 h/year compared to a white roof.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1979

Correlation of predicted and measured thermal stresses on an advanced aircraft structure with similar materials

A laboratory heating test simulating hypersonic heating was conducted on a heat-sink type structure to provide basic thermal stress measurements. Six NASTRAN models utilizing various combinations of bar, shear panel, membrane, and plate elements were used to develop calculated thermal stresses. Thermal stresses were also calculated using a beam model. For a given temperature distribution there was very little variation in NASTRAN calculated thermal stresses when element types were interchanged for a given grid system. Thermal stresses calculated for the beam model compared similarly to the values obtained for the NASTRAN models. Calculated thermal stresses compared generally well to laboratory measured thermal stresses. A discrepancy of signifiance occurred between the measured and predicted thermal stresses in the skin areas. A minor anomaly in the laboratory skin heating uniformity resulted in inadequate temperature input data for the structural models.

Jenkins, J. M.↗
NASA NTRS1982

Modelling of photodegradation in solar cell modules of substrate and superstrate design made with ethylene-vinyl acetate as pottant material

A computer model which simulates, in principle, the chemical changes in the photooxidation of hydrocarbons using as input data a set of elementary reactions, corresponding kinetic rate data and appropriate initial conditions was developed. The Model was refined and exploited to examine more closely the photooxidation and photostabilization of a hydrocarbon polymer. The results lead to the following observations. (1) The time to failure, tau sub f (chosen as the level of 5% C-H bond oxidation which is within the range anticipated for marked change in mechanical properties) varies as the inverse square root of the light intensity. However, tau sub f is almost unaffected by both the photoinitiator type and concentration. (2) The time to failure decreases with the rate of abstraction of C-H by peroxy radicals but increases with the rate of bimolecular radical termination controlled by diffusion. (3) Of the various stabilization mechanisms considered, the trapping of peroxy radicals is distinctly the most effective, although the concommitant decomposition of hydroperoxide is also desirable.

Somersall, A. C.↗
DOE OSTI2024

Simulation Study of High-Precision Characterization of MeV Electron Interactions for Advanced Nano-Imaging of Thick Biological Samples and Microchips

The resolution of a mega-electron-volt scanning transmission electron microscope (MeV-STEM) is primarily governed by the properties of the incident electron beam and angular broadening effects that occur within thick biological samples and microchips. A precise understanding and mitigation of these constraints require detailed knowledge of beam emittance, aberrations in the STEM column optics, and energy-dependent elastic and inelastic critical angles of the materials being examined. This simulation study proposes a standardized experimental framework for comprehensively assessing beam intensity, divergence, and size at the sample exit. This framework aims to characterize electron-sample interactions, reconcile discrepancies among analytical models, and validate Monte Carlo (MC) simulations for enhanced predictive accuracy. Our numerical findings demonstrate that precise measurements of these parameters, especially angular broadening, are not only feasible but also essential for optimizing imaging resolution in thick biological samples and microchips. By utilizing an electron source with minimal emittance and tailored beam characteristics, along with amorphous ice and silicon samples as biological proxies and microchip materials, this research seeks to optimize electron beam energy by focusing on parameters to improve the resolution in MeV-STEM/TEM. This optimization is particularly crucial for in situ imaging of thick biological samples and for examining microchip defects with nanometer resolutions. Our ultimate goal is to develop a comprehensive mapping of the minimum electron energy required to achieve a nanoscale resolution, taking into account variations in sample thickness, composition, and imaging mode.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multi-fidelity equations of state and transport coefficient datasets for pulsed-power applications

Reliably simulating experiments relevant to the National Nuclear Security Administration (NNSA) requires a detailed description of material properties across a wide range of conditions. Such properties include the equations of state, charged-particle transport coefficients, and optical properties like the opacity. Together, these properties make up the material models used in radiation-magnetohydrodynamic simulations of nuclear fusion experiments. Many of these models do not incorporate uncertainties in the data used to produce them. It is unknown whether these uncertainties significantly impact the interpretation of simulation results and diagnostics. The purpose of this work is to quantify how such uncertainties impact simulations of pulsed-power experiments. We accomplished this task by first assessing discrepancies between approaches used to generate the data. This included bringing together members of the high-energy-density community spanning the three NNSA laboratories and multiple universities. Then, using these data, we developed a general framework that systematically incorporates physical uncertainties within the material models suitable for uncertainty quantification analyses. The framework utilizes machine learning, Bayesian inference, and incorporates multi-fidelity datasets. We demonstrated the framework by quantifying the impact that material model uncertainties have on simulations of pulsed-power experiments underway on Z at Sandia National Laboratories. As a result of this work, we discovered that modest uncertainties in material models (roughly 20%) correspond to significant uncertainties in the outputs from simulations. Our framework has enabled rapid construction of material models through an automated procedure and allows for the generation of material models of interest to the NNSA.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Simulation of high-speed (orbital) releases of electron attachment materials in the ionosphere

The dynamics of ionospheric plasma irregularities produced by the release of electron attachment materials at orbital velocities across the geomagnetic field is studied. A two-dimensional electrostatic fluid model which includes electron attachment and mutual neutralization chemistry, self-consistent electric fields, and three-species transport is developed. Numerical simulations are performed to study the behavior at early and at late times after the release. At early times, of the order of or less than the attachment material neutral collision time, the negative ion cloud produced by the release may structure owing to the shear in the E x B velocity within the cloud. At high altitudes the cloud may bifurcate and form vortices on the back. At lower altitudes where ion-neutral collisional effects dominate, this structuring is suppressed. At late times, after a plasma depletion has formed due to neutralization chemistry, the cloud structures by the E x B interchange instability. Depending on the release altitude, the depletion structures by the collisional or inertial limit of this instability.

Scales, W. A.↗
DOE OSTI2023

An Integrated Simulation of Multiple-Pass U-10Mo Alloy Hot Rolling and Static Recrystallization

To achieve a desired microstructure and minimize the thickness variation in rolled foils, researchers must understand the effects of foil fabrication process variables on microstructure evolution. We developed an integrated simulation of deformation and recrystallization that employs the finite element method (FEM) and the kinetic Monte Carlo (KMC) Potts model, respectively, to investigate microstructure evolution during multiple-pass hot rolling and heat treatment in polycrystalline U-10Mo fuel. Scanning electron microscopy and electron backscatter diffraction images of microstructures were directly used as input in FEM calculation of deformation, and the calculated strains were used to determine the driving force of nucleation and growth of recrystallized grains in the Potts model. Grain structures predicted by the Potts model were used to update the grain structure and material properties for FEM. Simulation alternated between FEM and the Potts model to simulate grain structure evolution during multiple rolling and heat treatments. The initial model parameters were determined by benchmarking the recrystallization kinetics against experimental data. Then, the model was applied to predict the grain structure evolution. Results showed that our model can capture the coupling between deformation and recrystallization and can quantitatively reproduce the observed U-10Mo recrystallization and grain growth kinetics. The simulation results demonstrated that the developed model can predict U-10Mo grain structures as a function of initial microstructure and foil fabrication parameters.

36 MATERIALS SCIENCE↗
NASA NTRS1999

International Low-Earth-Orbit Spacecraft Materials Test Program Initiated for Better Prediction of Durability and Performance

Spacecraft in low Earth orbit (LEO) are subjected to many components of the environment, which can cause them to degrade much more rapidly than intended and greatly shorten their functional life. The atomic oxygen, ultraviolet radiation, and cross contamination present in LEO can affect sensitive surfaces such as thermal control paints, multilayer insulation, solar array surfaces, and optical surfaces. The LEO Spacecraft Materials Test (LEO-SMT) program is being conducted to assess the effects of simulated LEO exposure on current spacecraft materials to increase understanding of LEO degradation processes as well as to enable the prediction of in-space performance and durability. Using ground-based simulation facilities to test the durability of materials currently flying in LEO will allow researchers to compare the degradation evidenced in the ground-based facilities with that evidenced on orbit. This will allow refinement of ground laboratory test systems and the development of algorithms to predict the durability and performance of new materials in LEO from ground test results. Accurate predictions based on ground tests could reduce development costs and increase reliability. The wide variety of national and international materials being tested represent materials being functionally used on spacecraft in LEO. The more varied the types of materials tested, the greater the probability that researchers will develop and validate predictive models for spacecraft long-term performance and durability. Organizations that are currently participating in the program are ITT Research Institute (USA), Lockheed Martin (USA), MAP (France), SOREQ Nuclear Research Center (Israel), TNO Institute of Applied Physics (The Netherlands), and UBE Industries, Ltd. (Japan). These represent some of the major suppliers of thermal control and sensor materials currently flying in LEO. The participants provide materials that are exposed to selected levels of atomic oxygen, vacuum ultraviolet radiation, contamination, or synergistic combined environments at the NASA Lewis Research Center. Changes in characteristics that could affect mission performance or lifetime are then measured. These characteristics include changes in mass, solar absorptance, and thermal emittance. The durability of spacecraft materials from U.S. suppliers is then compared with those of materials from other participating countries. Lewis will develop and validate performance and durability prediction models using this ground data and available space data. NASA welcomes the opportunity to consider additional international participants in this program, which should greatly aid future spacecraft designers as they select materials for LEO missions.

Rutledge, Sharon K.↗
DOE OSTI2020

Design of a Critical Experiment to Validate Yttrium Hydride at Varying Temperatures

As microreactors become an emerging nuclear energy source for remote applications, designers are looking at the use of high temperature moderator material to reduce the fuel mass in the core by up to a factor of two. The microreactor community is in constant search of the best moderator material to retain hydrogen at high temperatures while optimizing neutronic performance. Recent simulation work has shown that materials which have a high and low Z component are optimal for this application. Material properties studies have further shown that yttrium hydride maintains hydrogen and stays as a solid until well over the needed temperatures, and thus retains hydrogen. A critical experiment is planned at the National Criticality Experiments Research Center (NCERC) to test the reactivity behavior of yttrium hydride at standard and elevated temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1973

Isotope heat source simulator for testing of space power systems

A reliable isotope heat source simulator was designed for use in a Brayton power system. This simulator is composed of an electrically heated tungsten wire which is wound around a boron nitride core and enclosed in a graphite jacket. Simulator testing was performed at the expected operating temperature of the Brayton power system. Endurance testing for 5012 hours was followed by cycling the simulator temperature. The integrity of this simulator was maintained throughout testing. Alumina beads served as a diffusion barrier to prevent interaction between the tungsten heater and boron nitride core. The simulator was designed to maintain a surface temperature of 1311 to 1366 K (1900 to 2000 F) with a power input of approximately 400 watts. The design concept and the materials used in the simulator make possible man different geometries. This flexibility increases its potential use.

Prok, G. M.↗