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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Updates to the Predictive Materials Modeling Software Tools

Updates on NASA's efforts to build predictive material models from the micro-scale to the macro-scale are presented. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. The PuMA (microstructure analysis), PATO (macroscale material response), SPARTA (direct simulation Monte Carlo) and ARCHeS (arc heater modeling) codes are described. A range of applications, encompassing calculating effective material properties, study of high shear boundary layer flow over woven materials, new model of silicone-based coatings, new model of mechanical erosion, as well as approach to loose multi-physics coupling, are presented.

material modeling↗
DOE OSTI2015

Influence of sweeping detonation-wave loading on damage evolution during spallation loading of tantalum in both a planar and curved geometry

Widespread research over the past five decades has provided a wealth of experimental data and insight concerning the shock hardening, damage evolution, and the spallation response of materials subjected to square-topped shock-wave loading profiles. However, fewer quantitative studies have been conducted on the effect of direct, in-contact, high explosive (HE)-driven Taylor wave (unsupported shocks) loading on the shock hardening, damage evolution, or spallation response of materials. Systematic studies quantifying the effect of sweeping-detonation wave loading are yet sparser. In this study, the damage evolution and spallation response of Ta is shown to be critically dependent on the peak shock stress, the geometry of the sample (flat or curved plate geometry), and the shock obliquity during sweeping-detonation-wave shock loading. Sweepingwave loading in the flat-plate geometry is observed to: a) yield a lower spall strength than previously documented for 1-D supported-shock-wave loading, b) exhibit increased shock hardening as a function of increasing obliquity, and c) lead to an increased incidence of deformation twin formation with increasing shock obliquity. Sweeping-wave loading of a 10 cm radius curved Ta plate is observed to: a) lead to an increase in the shear stress as a function of increasing obliquity, b) display a more developed level of damage evolution, extensive voids and coalescence, and lower spall strength with obliquity in the curved plate than seen in the flat-plate sweeping-detonation wave loading for an equivalent HE loading, and c) no increased propensity for deformation twin formation with increasing obliquity as seen in the flat-plate geometry. The overall observations comparing and contrasting the flat versus curved sweeping-wave spall experiments with 1D loaded spallation behavior suggests a coupled influence of obliquity and geometry on dynamic shock-induced damage evolution and spall strength. Coupled experimental and modeling research to quantify the combined effects of sweeping-wave loading with increasingly complex sample geometries on the shockwave response of materials is clearly crucial to providing the basis for developing and thereafter validation of predictive modeling capability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Equivariant graph convolutional neural networks for the representation of homogenized anisotropic microstructural mechanical response

Composite materials with different microstructural material symmetries are common in engineering applications where grain structure, alloying and particle/fiber packing are optimized via controlled manufacturing. In fact these microstructural tunings can be done throughout a part to achieve functional gradation and optimization at a structural level. To predict the performance of particular microstructural configuration and thereby overall performance, constitutive models of materials with microstructure are needed. In this work we provide neural network architectures that provide effective homogenization models of materials with anisotropic components. These models satisfy equivariance and material symmetry principles inherently through a combination of equivariant and tensor basis operations. We demonstrate them on datasets of stochastic volume elements with different textures and phases where the material undergoes elastic and plastic deformation, and show that the these network architectures provide significant performance improvements.

anisotropy↗
DOE OSTI2014

Competing effects of electronic and nuclear energy loss on microstructural evolution in ionic-covalent materials

Ever increasing energy needs have raised the demands for advanced fuels and cladding materials that withstand the extreme radiation environments with improved accident tolerance over a long period of time. Ceria (CeO2) is a well known ionic conductor that is isostructural with urania and plutonia-based nuclear fuels. In the context of nuclear fuels, immobilization and transmutation of actinides, CeO2 is a model system for radiation effect studies. Covalent silicon carbide (SiC) is a candidate for use as structural material in fusion, cladding material for fission reactors, and an inert matrix for the transmutation of plutonium and other radioactive actinides. Understanding microstructural change of these ionic-covalent materials to irradiation is important for advanced nuclear energy systems. While displacements from nuclear energy loss may be the primary contribution to damage accumulation in a crystalline matrix and a driving force for the grain boundary evolution in nanostructured materials, local non-equilibrium disorder and excitation through electronic energy loss may, however, produce additional damage or anneal pre-existing defect. At intermediate transit energies where electronic and nuclear energy losses are both significant, synergistic, additive or competitive processes may evolve that affect the dynamic response of materials to irradiation. The response of crystalline and nanostructured CeO2 and SiC to ion irradiation are studied under different nuclear and electronic stopping powers to describe some general material response in this transit energy regime. Although fast radiation-induced grain growth in CeO2 is evident with no phase transformation, different fluence and dose dependence on the growth rate is observed under Si and Au irradiations. While grain shrinkage and amorphization are observed in the nano-engineered 3C SiC with a high-density of stacking faults embedded in nanosize columnar grains, significantly enhanced radiation resistance is attributed to stacking faults that promote efficient point defect annihilation. Moreover, competing effects of electronic and nuclear energy loss on the damage accumulation and annihilation are observed in crystalline 4H-SiC. Systematic experiments and simulation effort are needed to understand the competitive or synergistic effects.

Zhang, Yanwen↗
NASA NTRS2015

Trajectory Simulation of Meteors Assuming Mass Loss and Fragmentation

Program used to simulate atmospheric flight trajectories of entry capsules [1] Includes models of atmospheres of different planetary destinations - Earth, Mars, Venus, Jupiter, Saturn, Uranus, Titan, ... Solves 3-­‐degrees of freedom (3DoF) equations for a single body treated as a point mass. Also supports 6-DoF trajectory simula4on and Monte Carlo analyses. Uses Fehlberg-­‐Runge-­‐Kuna (4th-5th order) time integraion with automaic step size control. Includes rotating spheroidal planet with gravitational field having a J2 harmonic. Includes a variety of engineering aerodynamic and heat flux models. Capable of specifying events - heatshield jettison, parachute deployment, etc. - at predefined altitudes or Mach number. Has material thermal response models of typical aerospace materials integrated.

Atmospheric Entry↗
NASA NTRS2018

TPS Architectures and the Influence of Material and Architecture on Failure Mode Evolution

A primary focus of the Entry Systems and Technology Division at NASA Ames is design, development, qualification and certification of Thermal Protection Systems for current NASA missions. Another primary focus is the development of new thermal protection systems for upcoming missions that address shortfalls in the existing suite of TPS. Examples of such shortfalls include performance at higher capability and reduction in mass. NASA is also investing in TPS sustainability ensuring the long term availability of TPS solutions for future missions. The specific TPS selection, for a given mission , depends on a number of parameters including the missions risk posture. For all missions the goal for TPS is efficient and reliable performance and to achieve these goals an understanding of the materials (composition and architecture) is required for proper design and use of the chosen TPS. Analytic tools are used to inform on a material (systems) response to a given environment and the response itself depends on the materials properties which are driven by its composition and architecture. This presentation will review the different generic ablative TPS architectures and anticipated corresponding failure modes.

ablator↗
DOE OSTI2019

Materials Characterization and Interrogation using Terahertz Radiation

Terahertz (THz) radiation is a powerful tool for characterizing materials and interrogating complex systems. The low-energy, non-ionizing nature of THz photons make it ideal for use as a non-destructive, non-contacting probe. Identification of materials by their unique THz response is possible through various absorption mechanisms, including vibrational (phonon) and rotational spectra. The Drude-like response of materials allows for non-contact electrical conductivity measurements as well. In the additive and advanced manufacturing realm, high sampling rates (kHz) and ability to extract electrical conductivity and composition makes in-situ THz imaging and spectroscopy a prime candidate for monitoring melt-pool dynamics in metal 3D printers. The fiberization of pulsed lasers systems enables the use of THz radiation to monitor oxide layer growth and characterize microstructure in challenging environments, whether ex-situ (e.g. post irradiation hot-cells) or in-situ (e.g. Transient Test Reactor, TREAT), through time of flight measurements and unique vibrational spectra of materials, providing crucial data on previously out of reach processes. While security imaging using THz radiation is already employed in airport body scanners, further miniaturization and ruggedization of THz systems enables materials characterization during field operations, adding a necessary and complementary tool to the arsenal of spectroscopic technologies available to the military and first responders. Cybersecurity is also a major focus for the coming decades; the use of THz interrogation methods to monitor integrated circuit operations provides a non-contacting, undetectable probe for system verification.

36 MATERIALS SCIENCE↗
NASA NTRS1997

The Effect of Temperature Dependent Material Nonlinearities on the Response of Piezoelectric Composite Plates

Previously developed analytical formulations for piezoelectric composite plates are extended to account for the nonlinear effects of temperature on material properties. The temperature dependence of the composite and piezoelectric properties are represented at the material level through the thermopiezoelectric constitutive equations. In addition to capturing thermal effects from temperature dependent material properties, this formulation also accounts for thermal effects arising from: (1) coefficient of thermal expansion mismatch between the various composite and piezoelectric plies and (2) pyroelectric effects on the piezoelectric material. The constitutive equations are incorporated into a layerwise laminate theory to provide a unified representation of the coupled mechanical, electrical, and thermal behavior of smart structures. Corresponding finite element equations are derived and implemented for a bilinear plate element with the inherent capability to model both the active and sensory response of piezoelectric composite laminates. Numerical studies are conducted on a simply supported composite plate with attached piezoceramic patches under thermal gradients to investigate the nonlinear effects of material property temperature dependence on the displacements, sensory voltages, active voltages required to minimize thermal deflections, and the resultant stress states.

Lee, Ho-Jun↗
NASA NTRSDate not supplied

Modeling instrumented test articles for Plasmatron X aerothermal environment

This work discusses the ablative response of thermal protection system materials when exposed to aerothermal environments. It focuses on modeling instrumented test article assemblies tested in the Plasmatron X inductively coupled plasma wind tunnel. For this purpose, as the samples are mounted to a water-cooled arm using numerous assembly components and are embedded with thermocouples for in-depth temperature measurements, the variation in ablative response of the samples as a result of these components is studied. The aerothermal boundary conditions for Plasmatron X are obtained for hypersonic flight-relevant conditions using the multi-physics aerothermal framework built at the University of Illinois at Urbana-Champaign. For simulating the material response, a material response code, Porous Material Analysis Toolbox based on OpenFOAM (PATO) is used. In PATO, numerous configurations and materials of thermocouples were studied. The optimal configuration for obtaining temperature measurements with minimal error using embedded thermocouples was found to be the U-shaped Type S, 30 American wire gauge thermocouple configuration.

Thermal Protection Systems↗
NASA NTRSDate not supplied

Modeling instrumented test articles for Plasmatron X aerothermal environment

This work discusses the ablative response of thermal protection system materials when exposed to aerothermal environments. It focuses on modeling instrumented test article assemblies tested in the Plasmatron X inductively coupled plasma wind tunnel. For this purpose, as the samples are mounted to a water-cooled arm using numerous assembly components and are embedded with thermocouples for in-depth temperature measurements, the variation in ablative response of the samples as a result of these components is studied. The aerothermal boundary conditions for Plasmatron X are obtained for hypersonic flight-relevant conditions using the multi-physics aerothermal framework built at the University of Illinois at Urbana-Champaign. For simulating the material response, a material response code, Porous Material Analysis Toolbox based on OpenFOAM (PATO) is used. In PATO, numerous configurations and materials of thermocouples were studied. The optimal configuration for obtaining temperature measurements with minimal error using embedded thermocouples was found to be the U-shaped Type S, 30 American wire gauge thermocouple configuration.

Thermal Protection Systems↗
DOE OSTI2024

Predicting non-linear stress–strain response of mesostructured cellular materials using supervised autoencoder

Recent breakthroughs in advanced manufacturing capabilities have made it possible to design and print sophisticated topologies of cellular structures using diverse engineering materials such as metals, polymers, and ceramics. In these architectured materials, it is often desirable to tailor the mechanical properties by altering the unit cell topology. This necessitates an in-depth understanding of how the topology of the unit cell structure affects the macroscopic behavior of the material in both the linear and the non-linear regimes encountered under large compression. Here, we have developed a machine learning (ML) approach capable of accelerating the prediction of the stress–strain response of a polymer-based cellular structure under uniaxial confined compression. As part of generating the training data for ML, 60,000 mesostructures were generated using a relatively novel approach based on cellular automata, and their corresponding stress–strain responses were obtained from the finite element simulations. Principal component analysis (PCA) was used to reduce the dimensionality of the stress–strain curves. With only 20 principal components, PCA captured 99.89% of the variance in the stress–strain curves while reducing the dimensionality by 5X. ML using supervised autoencoder was able to successfully speed up the prediction of the non-linear stress–strain response of a unit cell by up to 4600X. The proposed method can serve as an efficient data generation tool and a rapid means for predicting the structure–property relationship through accelerated forward modeling of cellular materials under compaction, in cases where the macroscopic stress–strain response is governed by the unit-cell topology.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials

Characterizing the structural response of functional materials (e.g., piezoelectrics and ferroelectrics) to electric fields is key for the creation of structure-property relationships. Here in this paper, we present a new sample environment and data reduction routines which allow the measurement of time-of-flight neutron total scattering during the in situ or ex situ application of high voltage (<10 kV) to a sample. Instead of utilizing the entire detector space of the diffractometer, only selected regions of detector pixels with scattering at the desired angle to the sample electric field are interrogated, which allows the generation of orientation-dependent reciprocal space patterns and real-space pair distribution functions (PDFs). We demonstrate the method using the relaxor ferroelectric Na 1/2 Bi 1/2 TiO 3 and observe lattice expansion parallel and contraction perpendicular to the electric field for both in situ or ex situ experiments, revealing the irreversible nature of the local scale structural changes to this composition. Additionally, changes in the distributions of nearest neighbor metal-oxygen bond lengths are observed, which have been difficult to observe in previously measured analogous orientation-dependent X-ray PDFs. Lastly, considerations related to sample positioning and background subtraction are discussed, and future research directions are suggested.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 304L Stainless Steel Alloy

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The material of interest here is 304L stainless steel, and the objective of this work is to calibrate thermal-mechanical models: one for the constitutive behavior and another for failure. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of the models. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s. It also included notched tension and shear-dominated compression hat tests specifically designed to calibrate the failure model. All test specimens were extracted from a single piece of plate to maintain consistency. The constitutive model adopted was a modular $J_2$ plasticity model with isotropic hardening that included rate and temperature dependence. A criterion for failure initiation based on a critical value of equivalent plastic strain fitted the failure data appropriately and was adopted. Possible ranges of the values of the parameters of the models were determined partially on historical data from calibrations of the same alloy from other lots and are given here. The calibration of the parameters of the models were based on finite element simulations of the various material tests using relatively ne meshes and hexahedral elements. When using the model in structural finite element calculations, however, element formulations and sizes different from those in the calibration are likely to be used. A brief investigation demonstrated that the failure initiation predictions can be particularly sensitive to the element selection and provided an initial guide to compensate for the effect of element size in a specific example.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 6061-T651 Aluminum Alloy from Plate

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The matters of interest here are the elastic-plastic response and ductile failure behavior of 6061-T651 aluminum alloy under the conditions described above. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of a modular $J_2$ plasticity model with isotropic hardening as well as a ductile failure model. Both included modules that accounted for temperature and strain rate dependence. The models were coupled with an adiabatic heating module to calculate the temperature rise due to the conversion of plastic work to heat. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s as well as four geometries of notched tension specimens and two tests on specimens with shear-dominated deformations. The test data collected allowed the calibration of both the plasticity and the ductile failure models. Most test specimens were extracted from a single piece of plate to maintain consistency. Notched tension tests came from a possibly different plate, but from the same lot. When using the model in structural finite element calculations, element formulations and sizes different from those used to model the test specimens in the calibration are likely to be used. A brief investigation demonstrated that the failure model can be particularly sensitive to the element selection and provided an initial guide to compensate in a specific example.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The role of electronic energy loss in ion beam modification of materials

The interaction of energetic ions with solids results in energy loss to both atomic nuclei and electrons in the solid. In this article, recent advances in understanding and modeling the additive and competitive effects of nuclear and electronic energy loss on the response of materials to ion irradiation are reviewed. Experimental methods and large-scale atomistic simulations are used to study the separate and combined effects of nuclear and electronic energy loss on ion beam modification of materials. The results demonstrate that nuclear and electronic energy loss can lead to additive effects on irradiation damage production in some materials; while in other materials, the competitive effects of electronic energy loss leads to recovery of damage induced by elastic collision cascades. Lastly, these results have significant implications for ion beam modification of materials, non-thermal recovery of ion implantation damage, and the response of materials to extreme radiation environments.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Improved Indentation Test for Measuring Nonlinear Elasticity

A cylindrical-punch indentation technique has been developed as a means of measuring the nonlinear elastic responses of materials -- more specifically, for measuring the moduli of elasticity of materials in cases in which these moduli vary with applied loads. This technique offers no advantage for characterizing materials that exhibit purely linear elastic responses (constant moduli of elasticity, independent of applied loads). However, the technique offers a significant advantage for characterizing such important materials as plasma-sprayed thermal-barrier coatings, which, in cyclic loading, exhibit nonlinear elasticity with hysteresis related to compaction and sliding within their microstructures.

Eldridge, Jeffrey I.↗