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At least 343 records · Page 19

Analytic Thermoelectric Couple Modeling: Variable Material Properties and Transient Operation

To gain a deeper understanding of the operation of a thermoelectric couple a set of analytic solutions have been derived for a variable material property couple and a transient couple. Using an analytic approach, as opposed to commonly used numerical techniques, results in a set of useful design guidelines. These guidelines can serve as useful starting conditions for further numerical studies, or can serve as design rules for lab built couples. The analytic modeling considers two cases and accounts for 1) material properties which vary with temperature and 2) transient operation of a couple. The variable material property case was handled by means of an asymptotic expansion, which allows for insight into the influence of temperature dependence on different material properties. The variable property work demonstrated the important fact that materials with identical average Figure of Merits can lead to different conversion efficiencies due to temperature dependence of the properties. The transient couple was investigated through a Greens function approach; several transient boundary conditions were investigated. The transient work introduces several new design considerations which are not captured by the classic steady state analysis. The work helps to assist in designing couples for optimal performance, and also helps assist in material selection.

Seebeck Effect↗

Process modelling for materials preparation experiments

The main goals of the research under this grant consist of the development of mathematical tools and measurement of transport properties necessary for high fidelity modeling of crystal growth from the melt and solution, in particular, for the Bridgman-Stockbarger growth of mercury cadmium telluride (MCT) and the solution growth of triglycine sulphate (TGS). Of the tasks described in detail in the original proposal, two remain to be worked on: (1) development of a spectral code for moving boundary problems; and (2) diffusivity measurements on concentrated and supersaturated TGS solutions. Progress made during this seventh half-year period is reported.

Rosenberger, Franz↗

Brittle failure analysis and modeling of high-burnup PWR fuel cladding alloys

The aim of this research is the development of methods for predicting mechanical behavior and identification of limiting conditions to prevent brittle failure of high-burnup (HBU) pressure water reactor (PWR) fuel cladding alloys. A finite element (FE) model of the ring compression test (RCT) was created to analyze the failure behavior of zirconium-based alloys with radial hydrides during the RCT. An elastic-plastic material model describes the zirconium alloy. The stress-strain curve needed for the elastic-plastic material model was derived by inverse finite element analyses. Cohesive zone modeling is used to reproduce sudden load drops during RCT loading. Based on the failure mechanism in non-irradiated ZIRLO (R) claddings, a micro-mechanical model was developed that distinguishes between brittle failure along hydrides and ductile failure of the zirconium matrix. Two different cohesive laws representing these types of failure are present in the same cohesive interface. The key differences between these constitutive laws are the cohesive strength, the stress at which damage initiates, and the cohesive energy, which is the damage energy dissipated by the cohesive zone. Statistically generated matrix-hydride distributions were mapped onto the cohesive elements and simulations with focus on the first load drop were performed. Computational results are in good agreement with the RCT results conducted on high-burnup M5 (R) samples. It could be shown that crack initiation and propagation strongly depend on the specific configuration of hydrides and matrix material in the fracture area.

Simbruner, Kai↗

Enhancement of phase change material hysteresis model: A case study of modeling building envelope in EnergyPlus

Nowadays, buildings are expected to offer demand side services to the power grid to enhance the electrical load flexibility, which leads to the concepts of grid-interactive efficient buildings (GEBs). Phase change material (PCM)-based thermal energy storage has seen increasing attention in recent years for peak load shifting of grid-interactive efficient buildings (GEBs). Numerical models are critical tools for design and evaluation of PCM-integrated systems. Most industrial-grade PCMs are reported to melt/freeze over a temperature range instead of at a unique temperature. Such thermal hysteresis effect significantly affects the reliability of simulation results because not only the heat transfer process depends on melting and freezing temperatures, the PCM thermal properties change significantly during the phase change process as well. This study is aimed to develop a model for the PCMs used in the building envelope with the capability to accurately simulate hysteretic behaviors. Further, this model is based on a two-phase assumption and is implemented in a whole building energy performance simulation program (i.e., EnergyPlus). A comparison between numerical results and experimental data shows that during a complete phase transition, the two-phase model could achieve a good agreement with the experimental data. During a partial phase transition, the two-phase model could lead to significant improvements compared to other alternative PCM models, including the existing PCM model in EnergyPlus. Last, whole building simulations were performed to study this model's performance regarding heating/cooling loads and zone mean air temperature of a given building. The results show that the difference in hourly heating/cooling loads introduced by the models was less than 1% in design conditions, while significant changes were observed in both hourly heating/cooling loads and zone mean air temperature when the PCM envelope underwent partial phase transition processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Process modelling for materials preparation experiments

The main goals of the research under this grant consist of the development of mathematical tools and measurement techniques for transport properties necessary for high fidelity modelling of crystal growth from the melt and solution. Of the tasks described in detail in the original proposal, two remain to be worked on: development of a spectral code for moving boundary problems, and development of an expedient diffusivity measurement technique for concentrated and supersaturated solutions. We have focused on developing a code to solve for interface shape, heat and species transport during directional solidification. The work involved the computation of heat, mass and momentum transfer during Bridgman-Stockbarger solidification of compound semiconductors. Domain decomposition techniques and preconditioning methods were used in conjunction with Chebyshev spectral methods to accelerate convergence while retaining the high-order spectral accuracy. During the report period we have further improved our experimental setup. These improvements include: temperature control of the measurement cell to 0.1 C between 10 and 60 C; enclosure of the optical measurement path outside the ZYGO interferometer in a metal housing that is temperature controlled to the same temperature setting as the measurement cell; simultaneous dispensing and partial removal of the lower concentration (lighter) solution above the higher concentration (heavier) solution through independently motor-driven syringes; three-fold increase in data resolution by orientation of the interferometer with respect to diffusion direction; and increase of the optical path length in the solution cell to 12 mm.

Rosenberger, Franz↗

Simulation of Hypervelocity Impact Effects on Reinforced Carbon-Carbon

Spacecraft operating in low earth orbit face a significant orbital debris impact hazard. Of particular concern, in the case of the Space Shuttle, are impacts on critical components of the thermal protection system. Recent research has formulated a new material model of reinforced carbon-carbon, for use in the analysis of hypervelocity impact effects on the Space Shuttle wing leading edge. The material model has been validated in simulations of published impact experiments and applied to model orbital debris impacts at velocities beyond the range of current experimental methods. The results suggest that momentum scaling may be used to extrapolate the available experimental data base, in order to predict the size of wing leading edge perforations at impact velocities as high as 13 km/s.

Park, Young-Keun↗

Numerical Validation of Composite Panel Impact Tests

Researchers have met the challenge of modeling impact events involving composite targets for a variety of applications in a variety of ways. In this paper, the theory and implementation details of an orthotropic visco-elastic-visco-plastic material model with strain rate dependence are discussed. The model is driven by experimental data from quasi-static as well as high strain rate tests, and the data is used in defining the deformation, damage and failure sub-models. Validation data is generated by shooting a hollow 50 g Al-2024 projectile at different velocities against a flat panel target made of unidirectional composite material in a 16-ply [(0/90/45/-45)_(2)]_(S) layup. Explicit dynamic finite element analyses of four high speed tests involving one contained (projectile rebounded) and three uncontained (projectile penetrated) impact tests show that the developed material model and modeling techniques yield reasonable and acceptable predictions.

Orthotropic Composite↗

Computational structures technology

Computational structures technology (CST), which has emerged from FEM developments, is a fusion of materials modeling, structural and dynamic analysis and synthesis methods, on the one hand, and numerical analysis and approximation theory, on the other. In addition to computational materials modeling, CST encompasses computational methods for predicting the response, performance, failure, and service life of structures and their components, as well as automated methods for structural synthesis and optimization.

Noor, Ahmed K.↗

Test and Analysis of Foam Impacting a 6x6 Inch RCC Flat Panel

This report presents the testing and analyses of a foam projectile impacting onto thirteen 6x6 inch flat panels at a 90 degrees incidence angle. The panels tested in this investigation were fabricated of Reinforced-Carbon-Carbon material and were used to aid in the validation of an existing material model, MAT58. The computational analyses were performed using LS-DYNA, which is a physics-based, nonlinear, transient, finite element code used for analyzing material responses subjected to high impact forces and other dynamic conditions. The test results were used to validate LS-DYNA predictions and to determine the threshold of damage generated by the MAT58 cumulative damage material model. The threshold of damage parameter represents any external or internal visible RCC damage detectable by nondestructive evaluation techniques.

Lessard, Wendy B.↗

Using ABAQUS Scripting Interface for Materials Evaluation and Life Prediction

An ABAQUS script has been written to aid in the evaluation of the mechanical behavior of viscoplastic materials. The purposes of the script are to: handle complex load histories; control load/displacement with alternate stopping criteria; predict failure and life; and verify constitutive models. Material models from the ABAQUS library may be used or the UMAT routine may specify mechanical behavior. User subroutines implemented include: UMAT for the constitutive model; UEXTERNALDB for file manipulation; DISP for boundary conditions; and URDFIL for results processing. Examples presented include load, strain and displacement control tests on a single element model. The tests are creep with a life limiting strain criterion, strain control with a stress limiting cycle and a complex interrupted cyclic relaxation test. The techniques implemented in this paper enable complex load conditions to be solved efficiently with ABAQUS.

Powers, Lynn M.↗

ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA's exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA's Entry Systems Modeling (ESM) Project, which serves as the Agency's only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specific models for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures.

Barnhardt, Michael D.↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics↗

FIERRO V.X

FIERRO is a modern C++ code intended to simulate quasi-static solid mechanics problems and transient, compressible material dynamic problems with Lagrangian methods, which have meshes with constant mass elements that move with the material. FIERRO is designed to aid a) material model research that has historically been done using commercial implicit and explicit finite element codes, b) numerical methods research, and c) computer science research. FIERRO supports user developed material models that adhere to several industry standard formats by using a C++ to Fortran interface to couple the model to the numerical solvers. FIERRO is built on the ELEMENTS library that supports a diverse suite of element types, including high-order elements, and quadrature rules. The mesh class within the ELEMENTS library is designed for efficient calculations on unstructured meshes and to minimize memory usage. FIERRO is designed to readily accommodate a range of numerical methods including continuous finite element, finite volume, and discontinuous Galerkin methods. FIERRO is designed to support explicit and implicit time integration methods. FIERRO only supports a single material in an element. No physical data exists within the code.

Morgan, Nathaniel↗

Sand Impact Tests of a Half-Scale Crew Module Boilerplate Test Article

Although the Orion Multi-Purpose Crew Vehicle (MPCV) is being designed primarily for water landings, a further investigation of launch abort scenarios reveals the possibility of an onshore landing at Kennedy Space Center (KSC). To gather data for correlation against simulations of beach landing impacts, a series of sand impact tests were conducted at NASA Langley Research Center (LaRC). Both vertical drop tests and swing tests with combined vertical and horizontal velocity were performed onto beds of common construction-grade sand using a geometrically scaled crew module boilerplate test article. The tests were simulated using the explicit, nonlinear, transient dynamic finite element code LS-DYNA. The material models for the sand utilized in the simulations were based on tests of sand specimens. Although the LSDYNA models provided reasonable predictions for peak accelerations, they were not always able to track the response through the duration of the impact. Further improvements to the material model used for the sand were identified based on results from the sand specimen tests.

Vassilakos, Gregory J.↗

State of the art, gaps, and prospects in fusion materials theory and modelling

Advancing the theory and simulation of materials for fusion applications remains a key component of global roadmaps aimed at delivering much-needed fusion power. Especially as the drive for commercial application increases, prototypes must be designed against radiation damage before the relevant experimental data can be collected and cost reductions that are possible by testing materials in silico become even more important. Here, we summarise the state of the art as it emerged during the 7 th Fusion Materials Theory & Modelling Workshop that took place in 2024, with the aim to highlight present gaps and future directions for the fusion materials modelling community. Of particular interest were the effects of transmutations, chemical complexity with the development of novel alloys and interatomic potentials, advancements in modelling high-dose microstructures, comparison with experimental data and multiscale models for structural assessment relying on high-performance computing and virtual reality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Recycling Disassembled Automotive Plastic Components for New Vehicle Components: Enabling the Automotive Circular Economy

As the automotive industry increasingly relies on plastic components to meet fuel efficiency and emissions targets, the challenge of managing end-of-life vehicle (ELV) plastics continues to grow. Currently, more than 80% of ELV plastics in the U.S. are landfilled due to limited economic incentives and technical barriers to recycling. This study examines a mechanical recycling pathway for thermoplastic components disassembled from ELVs and assesses their usability for reintegration into new vehicle parts. Four representative materials were chosen based on material labels embedded in recovered parts and aligned with their virgin industrial equivalents: polypropylene (PP), 10% talc-filled PP (PP-T10), 20% talc-filled PP (PP-T20), and a 20% glass-/mineral-filled polyamide (PA6 + GF7 + MF13). The materials underwent shredding, drying, and injection molding before being characterized by particle size analysis, density measurement, thermal analysis (TGA, DSC), mechanical testing, and heat deflection temperature (HDT) evaluation. The results in this work indicated that minor differences in crystallinity were observed and small differences between model materials and ELV materials could have contributed to these changes. Mechanical testing revealed that neat polypropylene suffered a 15–20% reduction in stiffness and tensile strength, but talc-filled polypropylene and glass/mineral-filled nylon retained >90% of their modulus, strength, and heat deflection temperature values relative to virgin controls. Differences between virgin and ELV materials could have been attributed to use life degradation, contamination during use life, or even chemical/processing differences in model materials and ELV materials. However, these findings suggest that mechanically recycled, disassembled ELV plastics can retain sufficient structural performance to support circularity efforts in the automotive sector.

automotive recycling↗

Calibr8 v.1.0

Calibr8 provides an application to rapidly prototype and perform material model calibration for complex plasticity models using advanced adjoint or forward sensitivity analyses for execution on massively parallel machines. These techniques can be orders of magnitude faster than traditional finite difference approaches for material model calibration. The underlying technology used in Calibr8 is automatic differentiation, which allows for the rapid implementation and testing of new plasticity models within its framework. Additionally, Calibr8 can perform adjoint-based error estimation to approximate discretization errors for user-implemented plasticity models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-10630 O

Granzow, BrianN.↗