Search NASA⌕ Search

SEARCH · Search NASA

Results for “material response simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Superstructures and multijunction cells for high efficiency energy conversion

Potential applications of superlattices to photovoltaic structures are discussed. A single-bandgap, multijunction cell with selective electrodes for lateral transport of collected carriers is proposed. The concept is based on similar doping superlattice (NIPI) structures. Computer simulations show that by reducing bulk recombination losses, the spectral response of such cells is enhanced, particularly for poor quality materials with short diffusion lengths. Dark current contributions of additional junctions result in a trade-off between short-circuit current and open-circuit voltage as the number of layers is increased. One or two extra junctions appear to be optimal.

Wagner, M.↗
NASA NTRS1989

Design, fabrication and test of a 4750 Newton-meter-second double Gimbal control moment gyroscope

The development of a prototype Control Moment Gyroscope (CMG) is discussed. Physical characteristics and the results of functional testing are presented to demonstrate the level of system performance obtained. Particular attention is given to how the man-rated mission requirement influenced the choice of the materials, fabrication, and design details employed. Comparisons are made of the measured system responses against the prediction generated by computer simulation.

Cook, Lewis↗
NASA NTRS1992

Recent developments of the NESSUS probabilistic structural analysis computer program

The NESSUS probabilistic structural analysis computer program combines state-of-the-art probabilistic algorithms with general purpose structural analysis methods to compute the probabilistic response and the reliability of engineering structures. Uncertainty in loading, material properties, geometry, boundary conditions and initial conditions can be simulated. The structural analysis methods include nonlinear finite element and boundary element methods. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. The scope of the code has recently been expanded to include probabilistic life and fatigue prediction of structures in terms of component and system reliability and risk analysis of structures considering cost of failure. The code is currently being extended to structural reliability considering progressive crack propagation. Several examples are presented to demonstrate the new capabilities.

Millwater, H.↗
NASA NTRS1993

Elastic-plastic finite element analyses of an unidirectional, 9 vol percent tungsten fiber reinforced copper matrix composite

Micromechanical modeling via elastic-plastic finite element analyses were performed to investigate the effects that the residual stresses and the degree of matrix work hardening (i.e., cold-worked, annealed) have upon the behavior of a 9 vol percent, unidirectional W/Cu composite, undergoing tensile loading. The inclusion of the residual stress-containing state as well as the simulated matrix material conditions proved to be significant since the Cu matrix material exhibited plastic deformation, which affected the subsequent tensile response of the composite system. The stresses generated during cooldown to room temperature from the manufacturing temperature were more of a factor on the annealed-matrix composite, since they induced the softened matrix to plastically flow. This event limited the total load-carrying capacity of this matrix-dominated, ductile-ductile type material system. Plastic deformation of the hardened-matrix composite during the thermal cooldown stage was not considerable, therefore, the composite was able to sustain a higher stress before showing any appreciable matrix plasticity. The predicted room temperature, stress-strain response, and deformation stages under both material conditions represented upper and lower bounds characteristic of the composite's tensile behavior. The initial deformation stage for the hardened material condition showed negligible matrix plastic deformation while for the annealed state, its initial deformation stage showed extensive matrix plasticity. Both material conditions exhibited a final deformation stage where the fiber and matrix were straining plastically. The predicted stress-strain results were compared to the experimental, room temperature, tensile stress-strain curve generated from this particular composite system. The analyses indicated that the actual thermal-mechanical state of the composite's Cu matrix, represented by the experimental data, followed the annealed material condition.

Sanfeliz, Jose G.↗
NASA NTRS1994

Aerothermodynamics of Pyrolizing Surfaces in Hypersonic Rarefied Flows

Direct simulation Monte Carlo (DSMC) calculations of rarefied flows about entry bodies typically employ a fixed surface temperature or a radiative-equilibrium energy balance to compute that temperature. Such boundary conditions neglect any effects of heat capacitance and heat conduction in the spacecraft heat shield and, therefore, provide an upper bound for the surface temperature. Such calculations also neglect pyrolysis from the heat shield which can be significant for a high-energy incident flow at very low densities. Accurate prediction of both heating and aerodynamic forces requires including pyrolysis and surface heat transfer in the models for gas-surface interaction employed in DSMC methods. Although these physical models have long appeared in various continuum flow calculation codes, they have only recently appeared in DSMC codes which are required to simulate rarefied flows during entry at high altitudes. In the current implementation, routines from the widely distributed Charring Material Thermal Response and Ablation (CMA) program are coupled into a DSMC code to calculate the one-dimensional heat transfer into the carbon phenolic heat shield at each point on a vehicle surface. Temperature-dependent material properties, surface re-radiation, and in-depth pyrolysis were included in the calculation, but surface ablation was neglected. Sample calculations for entry of the Galileo probe into the atmosphere of Jupiter demonstrate that including pyrolysis in the model leads to significant differences in predicted aerodynamics. Granted, the drag coefficient does not depend strongly on the surface temperature which can itself be significantly below the radiative equilibrium value during entry. However, the surface mass flux due to pyrolysis of the material is significant once the probe drops to altitudes characterized by transition flow. This leads to a noticeable increase in drag and a decrease in heating compared to a body without pyrolysis.

Haas, Brian L.↗
NASA NTRS2007

Detailed Studies of Pixelated CZT Detectors Grown with the Modified Horizontal Bridgman Method

The detector material Cadmium Zinc Telluride (CZT) achieves excellent spatial resolution and good energy resolution over a broad energy range, several keV up to some MeV. Presently, there are two main methods to grow CZT crystals, the Modified High-Pressure Bridgman (MHB) and the High-Pressure Bridgman (HPB) process. The study presented in this paper is based on MHB CZT substrates from the company Orbotech Medical Solutions Ltd. [Orbotech Medical Solutions Ltd., 10 Plaut St., Park Rabin, P.O. Box 2489, Rehovot, Israel, 76124]. Former studies have shown that high-work-function materials on the cathode side reduce the leakage current and, therefore, improve the energy resolution at lower energies. None of the studies have emphasized on the anode contact material. Therefore, we present in this paper the result of a detailed study in which for the first time the cathode material was kept constant and the anode material was varied. We used four different anode materials: Indium, Titanium, Chromium and Gold, metals with work-functions between 4.1 eV and 5.1 eV. The detector size was 2.0 x 2.0 x 0.5 cu cm with 8 x 8 pixels and a pitch of 2.46 mm. The best performance was achieved with the low-work-function materials Indium and Titanium with energy resolutions of 2.0 keV (at 59 keV) and 1.9 keV (at 122 keV) for Titanium and 2.1 keV (at 59 keV) and 2.9 keV (at 122 keV) for Indium. Taking into account the large pixel pitch of 2.46 mm, these resolutions are very competitive in comparison to those achieved with detectors made of material produced with the more expensive conventional HPB method. We present a detailed comparison of our detector response with 3D simulations. The latter comparisons allow us to determine the mobility-lifetime-products (mu tau-products) for electrons and holes. Finally, we evaluated the temperature dependency of the detector performance and ls-products. For many applications temperature dependence is important, therefore, we extended the scope of our study to temperatures as low as -30 C. There are two important results. The breakdown voltage increases with decreasing temperature, and electron mobility-lifetime-product decreases by about 30% over a range from 20 C to -30 C. The latter effect causes the energy resolution to deteriorate, but the concomitantly increasing breakdown voltage makes it possible to increase the applied bias voltage and restore the full performance

Jung, I.↗
DOE OSTI2024

High strain-rate strength response of single crystal tantalum through in-situ hole closure imaging experiments

The properties of crystalline materials often depend on directionality and operating conditions. Specifically, the strength of materials can depend anisotropically on crystal direction and the loading condition. To probe these effects, a preliminary series of high strain-rate (> 105/s) strength plate-impact hole closure experiments were performed on high purity single crystal Tantalum cubes. The orientation of the single crystals with respect to impact/loading were varied to provide data to inform crystal plasticity modeling efforts. The experiments consist of in-situ high-resolution X-ray radiographic imaging of the hole collapse under dynamic compression conditions to infer the material strength via its resistance to closure at increasing levels of plastic strain. The experiments are compared against hydrocode simulation predictions. Here, a comparison with simple elastic perfectly plastic strength model predictions is presented to elucidate the response of the different crystal orientations at high strain-rate and large plastic strains.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Triaxial Constraint and Tensile Strength Enhancement in Brazed Joints

A brazed joint consists of a low-melting point and thin interlayer sandwiched between the high-melting-point base materials, in which the interlayer strength is typically lower than that of the base material. When this butt-joined composite is loaded uniaxially in the direction perpendicular to the plane of the brazing layer, the tensile strength is found to be much higher than that of the braze. This seems to violate the iso-stress condition in such a butt-joint serial configuration. Furthermore, the stress triaxiality has been usually ascribed, but without a quantitative rationalization, as being responsible for this tensile strength enhancement. Here a complete finite element simulation has been conducted to study the dependence of triaxiality and strength enhancement on geometric and material parameters. Two asymptotic limit solutions (based on Bridgman and Xia–Shih solutions, respectively) have been identified to understand the simulation results. The critical role of void evolution has been revealed when making a quantitative comparison to available experiments. In addition, ductility of the brazed joint, which has not been fully addressed in literature, is investigated by the Gurson–Tvergaard–Needleman model.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H

This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.

316H↗
DOE OSTI2025

Investigating the Effect of Water on the Mechanical Properties of Cellulose from Multiscale Molecular Dynamics Simulations

Classical molecular dynamics (MD) simulations provide insight into the structure and physicochemical properties of materials with atomic resolution. However, the length and time scales accessible to atomistic MD are orders of magnitude smaller than many relevant processes such as the response of a bulk material to experimentally accessible strain rates, which presents challenges when comparing models to experimental measurements. Bottom-up coarse-graining provides a means for systematically mapping atomistic information to lower resolution models to increase the length and time scales achievable by simulation. Cellulose is an abundant carbohydrate biopolymer with applications to many fields of research, such as materials science and renewable energy, due to its desirable mechanical properties and viability for conversion into biofuel. The effect of moisture content on the Young's modulus of cellulose is of special interest due to its native environment often being in the hydrated secondary plant cell wall and the grinding energy requirements for biomass feedstock preprocessing. The current work investigates the effects of water solvent on the Young's modulus of cellulose calculated from coarse-grained MD mechanical stress simulations. The coarse-grained model was parametrized from atomistic MD calculations of cellulose-cellulose potentials of mean force using umbrella sampling techniques under vacuum and solvated conditions. The Young's moduli of the coarse-grained cellulose assemblies parametrized from cellulose in vacuum or solvated in water were computed via mechanical stress simulations to highlight the importance of capturing solvent interactions for modeling the mechanical behavior of cellulose.

BASIC BIOLOGICAL SCIENCES,RADIATION PROTECTION AND↗
NASA NTRSDate not supplied

Rational Design of Nanoplasmonic Array Geometries for Biosensing

Background: Molecular diagnostics provide early and accurate diagnosis, which is essential for the prevention and treatment of infectious as well as chronic diseases. These tests are designed to detect disease-specific bioanalytes such as nucleic acid (DNA or RNA) or protein (antigens, antibodies) biomarkers. In the context of infectious disease diagnosis, nucleic acid-based detection methods are known to provide more specific and sensitive results. Here, the presence of a unique sequence belonging to the pathogenic genomic material is targeted to identify species, organism, genera and/or antimicrobial resistant gene markers. The majority of the common nucleic acid based diagnostic techniques require amplification (polymerase chain reaction, isothermal amplification etc.) of the pathogenic genetic material prior to detection impacting diagnostic speed, complexity, and cost thereby limiting ease of use. Thus, the development of simplified nucleic acid-based diagnostics that can be even used in resource-poor settings may hugely benefit patients across the globe. Nanopath is a molecular diagnostics company utilizing a solid-state nanosensor to enable sequence-specific detection of target nucleic acids without the need of amplification. These nanostructures enable ultra-sensitive biomarker detection using geometric, feature-dependent properties highly dependent on the local dielectric environment, allowing them to be sensitive to low concentration binding events. This paper describes an application of this approach to provide highly relevant clinical information within a single doctor’s office visit. Intro: The Nanopath team is in collaboration with NASA (National Aeronautics and Space Administration) and NIST (National Institute of Standards and Technology) to push the bounds of the fundamental physics associated with their biosensing platform. The ability of metals to support electromagnetic surface waves gives rise to surface plasmons when optically illuminated. This property, and its strong sensitivity to changes in the local refractive index, allows for the use of metal nanoparticles as ultra-sensitive transducers. In prior work by members of this team, ensembles of randomly oriented nanoparticles (i.e., colloidal nanorods dispersed on chip) were employed for sequence-specific nucleic acid sensing (1-3). While these particle sensors have the advantage of rapid fabrication, they suffer from low sensitivity and quality factor due to the random particle dispersity. In contrast, in this study we employ ordered array nanoparticle ensembles which can be used to improve sensor sensitivity and figure-of-merit. Study Methods Overview: In this talk, we detail the results of sensing experiments and computational simulations to outline a rational design of the structure of these plasmonic nanoparticle arrays for biomolecular sensing. Through simulation and experiment, we iteratively tailor nanostructure dimension to provide high quality signal and large resonance shifts upon modeled nucleic acid binding. In particular, full-wave electromagnetic simulations were conducted using Lumerical photonic simulation software in which periodic boundary conditions were applied in the x- and y- dimensions for each of the nanoplasmonic sensor geometries. To simulate the resonance response to changes in the bulk solution in contact with the sensor surface, the refractive index of the surrounding media was changed appropriately. Nucleic acid hybridization events were modeled using either using spherical structures approximating the relevant radius of genomic material as estimated by polymer models, or as conformal layers with the known refractive indices for nucleic acids. On the basis of initial simulations, nanosensors were fabricated using traditional electron-beam lithography protocols at NIST. To evaluate consensus between simulations and experiments, bulk sensing experiments were carried out in which the resonance peaks were obtained by submerging the sensors in refractive index standards. Key nanosensor characteristics including resonance peak locations, resonance peak shifts as a function of refractive index, and figure of merit (FOM) of extinction curves were examined between the experimental and simulation results prior to proceeding with simulations on additional geometries and more complex solution conditions, and further device fabrication. This iterative process is repeated toward a rational design of nanoplasmonic array geometries for biosensing optimizing response for targeted disease detection. In summary, this study puts forth a methodology for rational design and characterization of regularly spaced nanoparticle arrays for optics-based biosensing. The results of this study will allow for more informed design of nanostructure geometries towards sequence-specific nucleic acid detection. These improved designs have the potential to improve clinical sensitivity and limit-of-detection across disease indication.

sensor↗
NASA NTRSDate not supplied

Characterizing Porous and Nonporous Phenolic Resins from Molecular Dynamics Simulations

Phenolic resins are an important component of many ablative heat shield materials, which protect spacecrafts from the extreme temperatures reached during atmospheric entry. Examples include the high-density Heritage Carbon Phenolic (HCP) used in the Pioneer-Venus and Galileo missions, as well as the low-density Phenolic Impregnated Carbon Ablator (PICA) used in the Mars Science Laboratory and Mars 2020 missions. Additionally, recent developments within NASA have produced the mid-density Heatshield for Extreme Entry Environment Technology (HEEET) and its derivative 3D Woven Mid-Density Carbon Phenolic (3MDCP). Unlike the nonporous phenolic in HCP, PICA and HEEET/3MDCP are fabricated by infusing preforms with diluted phenolic formulations to obtain a lower density porous matrix. Despite the importance of the phenolic phase to the material response during entry, the variation in properties of porous and nonporous phenolic is not well understood. Here, we present an investigation of porous and nonporous phenolic resins using molecular dynamics (MD) simulations. Resin cure is mimicked in the simulations through the inclusion of representative reaction templates to generate accurate models of the complex crosslinked structures. To create porous models, explicit solvent molecules are included during the cure simulations. We observe nanoscale separation of the phenolic and solvent phases, which results in significant differences in the final structures of porous and nonporous models. In addition to a quantitative assessment of the network structure and porosity, we elucidate the effects of the phenolic formulation on the final material properties. These results are compared with experimental data as appropriate.

phenolic↗
DOE OSTI2023

Hybrid Particle Method for Computational Shock Physics

A long-standing area of research for Eulerian shock wave physics codes has been the treatment of strength and damage for materials. Here we present a method that will aid in the analysis of strength and failure in shock physics applications where excessive diffusion of critical variables can occur and control the solution outcome. Eulerian methods excel for large deformation simulations in general but are inaccurate in capturing structural behavior. Lagrangian methods provide better structural response, but finite element meshes can become tangled. Therefore, a technique for merging Lagrangian and Eulerian treatments of material response, within a single numerical framework, was implemented in the Multiple Component computational shock physics hydrocode. The capability is a Lagrangian/Eulerian Particle Method (LEPM) that uses particles to interface a Lagrangian treatment of material strength with a more traditional Eulerian treatment of the Equation of State (EOS). Lagrangian numerical methods avoid the advection diffusion found in Eulerian methods, which typically strongly affects strength constitutive law internal variables, such as equivalent plastic strain, porosity and/or damage. The Lagrangian capability enhances existing capabilities and permits accurate predictions of high rate, large deformation and/or shock of mechanical structures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Capturing the dynamic response of a material under high strain-rate deformation often demands challenging and time consuming experimental effort. While shock hydrodynamic simulation methods can aid in this area, a priori characterizations of the material strength under shock loading and spall failure are needed in order to parameterize constitutive models needed for these computational tools. Moreover, parameterizations of strain-rate-dependent strength models are needed to capture the full suite of Richtmyer–Meshkov instability (RMI) behavior of shock compressed metals, creating an unrealistic demand for these training data solely on experiments. Herein, we sweep a large range of geometric, crystallographic, and shock conditions within molecular dynamics (MD) simulations and demonstrate the breadth of RMI in Cu that can be captured from the atomic scale. In this work, yield strength measurements from jetted and arrested material from a sinusoidal surface perturbation were quantified as Y RMI = 0.787 ± 0.374 GPa, higher than strain-rate-independent models used in experimentally matched hydrodynamic simulations. Defect-free, single-crystal Cu samples used in MD will overestimate Y RMI , but the drastic scale difference between experiment and MD is highlighted by high confidence neighborhood clustering predictions of RMI characterizations, yielding incorrect classifications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Finite-element modeling for an explosively loaded ferroelectric generator

A preliminary finite-element model has been developed using the ALEGRA-FE code for explosive driven depoling of a PZT 95/5 ferroelectric generator. The ferroelectric material is characterized using hysteresis-loop and hydrostatic depoling tests. These characteristics are incorporated into ALEGRA-FE simulations that model the explosive drive mechanism and shock environment in the material leading to depoling, as well as the ferroelectric response and the behavior of a coupled circuit. The ferroelectric-to-antiferroelectric phase transition is captured, producing an output voltage pulse that matches experimental data to within 10% in rise time, and to within about 15% for the final voltage. Both experimental and modeled pulse magnitudes are less than the theoretical maximum output of the material. Observations from materials characterization suggest that unmodeled effects such as trapped charge in the stored FEG material may have influenced the experimentally observed output.

42 ENGINEERING↗
DOE OSTI2021

VERA-Grizzly Ex-Core Calculations: Watts Bar Unit 1 Cycles 1-2

The critical structures that comprise light-water reactor (LWR) nuclear power plants are subjected to operating environments that can challenge their integrity. Structures in close proximity to the reactor core, such as the reactor pressure vessel (RPV) and the biological shield wall, are subjected to high levels of radiation emanating from the core, as well as elevated temperatures. As the US fleet of operating LWRs ages, the effects of these operating environments on the integrity of these structures must be considered to ensure their continued safe operation. Extending the lifetime of commercial reactors and maintaining the aging reactor fleet require accurate prediction of the exposure of ex-core components to neutron and photon radiation. In particular, concrete degradation studies must be performed to evaluate the safety and long-term operation of reactors with lifetime extensions. The concrete reactor bioshield is important for providing radiological protection during operation and must last for the entire lifetime of the reactor. Recent interest in lifetime extensions furthers the need to accurately simulate concrete material degradation in the reactor bioshield. As a result of this need, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has funded this study to couple its tools, Virtual Environment for Reactor Applications (VERA) and Grizzly. VERA allows users to set up models to calculate time-dependent and fully coupled solutions (with thermal feedback) for ex-core quantities of interest such as vessel and coupon fluence and detector responses for multiple statepoints and cycles. Grizzly is a finite-element application based on the Multiphysics Object Oriented Simulation Environment (MOOSE) framework that is used to enable aging materials calculations. This report highlights the work performed to calculate the fluence in the vessel and concrete for Watts Bar Nuclear Plant Unit 1 (WBN1) Cycles 1 and 2. The fluences obtained from VERA were successfully transferred to Grizzly using a Python script. Four simulations were run with Grizzly: (1) the Mazars model with the initial Young’s modulus being the instantaneous modulus, (2) the Mazars model with the initial Young’s modulus being the delayed modulus, (3) the Mazars model with the initial Young’s modulus being the delayed modulus with the addition of the effects of micro-damage caused by irradiation, and (4) the Mazars model with the initial Young’s modulus being the instantaneous modulus, and with the addition of micro-damage and creep. Details regarding the methods used to obtain the fluence and the statistical errors associated with the VERA Monte Carlo Shift calculations are discussed in greater detail in this report. The results obtained from the four Grizzly models are also presented in this report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1980

Simulation of charging response of SCATHA (P78-2) satellite

A model of the satellite charging at high altitudes (SCATHA P78-2) satellite was used to simulate the charging response of SCATHA at geosynchronous orbit. The model includes a description of the geometry, currents to exposed surface materials, and electrical connections on the spacecraft. The charging response of the vehicle to that predicted by the NASCAP model for the Day 87, 1979 eclipse charging event, in which the spacecraft charged to several kilovolts negative during a magnetospheric substorm are compared. Double Maxwellian representations of the plasma environment reproduce the charging response observed experimentally.

Schnuelle, G. W.↗
NASA NTRS1982

Nonlinear structural and life analyses of a combustor liner

Three dimensional, nonlinear finite element structural analyses were performed for a simulated combustor liner specimen to assess the capability of nonlinear analyses using classical inelastic material models to represent the thermoplastic creep response of the one half scale component. Results indicate continued cyclic hardening and ratcheting while experimental data suggested a stable stress strain response after only a few loading cycles. The computed stress strain history at the critical location was put into two life prediction methods, strainrange partitioning and a Pratt and Whitney combustor life prediction method to evaluate their ability to predict cyclic crack initiation. It is found that the life prediction analyses over predicted the observed cyclic crack initiation life.

Moreno, V.↗