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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 1,765 records · Page 98

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗

Experimental Investigations into the Material Response of Heatshields, High-Temperature Coatings, and Meteors.

Phenolic Impregnated Carbon Ablator (PICA) gained heritage during the Stardust mission and is the baseline thermal protection system (TPS) material for missions to Mars. However, PICA is friable, so a thin layer of siloxane resin (NuSil) is applied to the surface of the heatshield to suppress the spread of particulate matter during cleanroom activities. Until recently, the thermochemical response of NuSil had not been accounted for in material response models. Therefore, a test campaign was executed at the Hypersonic Materials Environmental Test System (HyMETS) facility to investigate the material response of NuSil and provide crucial insight for model development. Finally, salient results from an experiment supported by the Asteroid Threat Assessment Project (ATAP) will be discussed, which probed the material response of the Tamdakht meteorite and notable analogs. Bio: Dr. Bessire is a senior research scientist in the thermal protection system materials branch at the NASA Ames Research Center. His research focuses on developing analytical techniques designed to inform and validate the development of material response models.

Brody K. Bessire↗

Superconductor to exciton condensate transition in a model copper-oxide material

Abstract Superconductivity and exciton condensation are fundamental phenomena in condensed matter physics, associated with the condensation of electron–electron and electron–hole pairs, respectively, into coherent quantum states. In this study, we present evidence of a superconductor to exciton condensate transition within the context of the three-band Hubbard model of copper-oxide-like materials. As the electron–electron repulsion increases, the superconducting phase is superseded by exciton condensation. In support of theoretical predictions—not yet realized experimentally—we observe the coexistence of the two condensates in the vicinity of the transition where the quantum states become a superposition of electron–electron and electron–hole condensates. Coexistence is rigorously computed from large eigenvalues and their eigenvectors in both the two-electron reduced density matrix (2-RDM) and the particle-hole RDM, which we obtain from a direct variational ground-state energy minimization with respect to the 2-RDM by semidefinite programming. We further discern that adjacent d orbitals and intervening p orbitals facilitate electron–electron pairing between copper orbitals, thereby supporting the superexchange mechanism for superconductivity. These observations suggest the feasibility of witnessing a superconductor to exciton condensate transition in copper-oxide analogs, bearing significant implications for identifying materials conducive to efficient transport processes.

Schouten, Anna O. (ORCID:0000000264255219)↗

Formation of ureilites by impact-melting of cabonaceous chondritic material

Ureilites are modeled as impact-melt products of CV-chondrite-like material. This model is consistent with the brecciated nature and cumulate textures of ureilites, O-isotopic constraints (which indicate ureilite derivation from an isotopically heterogeneous body like the CV-chondrite parent), the high abundance of planetary-type noble gases, and the relatively high concentrations of siderophile and chalcophile elements (indicating incomplete separation of metal-sulfide from silicate). Each ureilite may have been derived from a separate cratering event.

Rubin, Alan E.↗

Life prediction and constitutive models for engine hot section anisotropic materials

The results are presented of a program designed to develop life prediction and constitutive models for two coated single crystal alloys used in gas turbine airfoils. The two alloys are PWA 1480 and Alloy 185. The two oxidation resistant coatings are PWA 273, an aluminide coating, and PWA 286, an overlay NiCoCrAlY coating. To obtain constitutive and fatigue data, tests were conducted on uncoated and coated specimens loaded in the CH76 100 CH110 , CH76 110 CH110 , CH76 111 CH110 and CH76 123 CH110 crystallographic directions. Two constitutive models are being developed and evaluated for the single crystal materials: a micromechanic model based on crystallographic slip systems, and a macroscopic model which employs anisotropic tensors to model inelastic deformation anisotropy. Based on tests conducted on the overlay coating material, constitutive models for coatings also appear feasible and two initial models were selected. A life prediction approach was proposed for coated single crystal materials, including crack initiation either in the coating or in the substrate. The coating initiated failures dominated in the tests at load levels typical of gas turbine operation. Coating life was related to coating stress/strain history which was determined from specimen data using the constitutive models.

Swanson, G. A.↗

Uncertainty Quantification of Microstructural Material Variability Effects

This project has developed models of variability of performance to enable robust design and certification. Material variability originating from microstructure has significant effects on component behavior and creates uncertainty in material response. The outcomes of this project are uncertainty quantification (UQ) enabled analysis of material variability effects on performance and methods to evaluate the consequences of microstructural variability on material response in general. Material variability originating from heterogeneous microstructural features, such as grain and pore morphologies, has significant effects on component behavior and creates uncertainty around performance. Current engineering material models typically do not incorporate microstructural variability explicitly, rather functional forms are chosen based on intuition and parameters are selected to reflect mean behavior. Conversely, mesoscale models that capture the microstructural physics, and inherent variability, are impractical to utilize at the engineering scale. Therefore, current efforts ignore physical characteristics of systems that may be the predominant factors for quantifying system reliability. To address this gap we have developed explicit connections between models of microstructural variability and component/system performance. Our focus on variability of mechanical response due to grain and pore distributions enabled us to fully probe these influences on performance and develop a methodology to propagate input variability to output performance. This project is at the forefront of data-science and material modeling. We adapted and innovated from progressive techniques in machine learning and uncertainty quantification to develop a new, physically-based methodology to address the core issues of the Engineering Materials Reliability (EMR) research challenge in modeling constitutive response of materials with significant inherent variability and length-scales.

36 MATERIALS SCIENCE↗

Acoustic behavior of a fibrous bulk material

A semiempirical model is presented describing the acoustic behavior of Kevlar 29, a bulk absorbing material. The model is based on an approximate solution to the one-dimensional equations representing conservation of fluctuating mass, momentum and energy. By treating the material as a momentum sink, theoretical expressions of the material complex propagation constants and characteristic impedance were derived in terms of a single constant. Evaluating the constant at a single frequency for a particular specimen, excellent agreement between prediction and measurement was achieved for a large range of sound frequencies and material porosities and thicknesses. Results show that Kevlar 29 absorbs sound efficiently even at low frequencies. This is explained in terms of a frequency dependent material phase speed.

Hersh, A. S.↗

Investigation of Micro-Scale Architectural Effects on Damage of Composites

This paper presents a three-dimensional, energy based, anisotropic, stiffness reduction, progressive damage model for composite materials and composite material constituents. The model has been implemented as a user-defined constitutive model within the Abaqus finite element software package and applied to simulate the nonlinear behavior of a damaging epoxy matrix within a unidirectional composite material. Three different composite microstructures were considered as finite element repeating unit cells, with appropriate periodicity conditions applied at the boundaries. Results representing predicted transverse tensile, longitudinal shear, and transverse shear stress-strain curves are presented, along with plots of the local fields indicating the damage progression within the microstructure. It is demonstrated that the damage model functions appropriately at the matrix scale, enabling localization of the damage to simulate failure of the composite material. The influence of the repeating unit cell geometry and the effect of the directionality of the applied loading are investigated and discussed.

damage↗

Mechanisms of deterioration of nutrients

Methods are reported by which freeze dried foods of improved quality will be produced. The applicability of theories of flavor retention has been demonstrated for a number of food polymers, both proteins and polysacchardies. Studies on the formation of structures during freeze drying have been continued for emulsified systems. Deterioration of organoleptic quality of freeze dried foods due to high temperature heating has been evaluated and improved procedures developed. The influence of water activity and high temperature on retention of model flavor materials and browning deterioration has been evaluated for model systems and food materials.

Karel, M.↗

A viscoelastic higher-order beam finite element

A viscoelastic internal variable constitutive theory is applied to a higher-order elastic beam theory and finite element formulation. The behavior of the viscous material in the beam is approximately modeled as a Maxwell solid. The finite element formulation requires additional sets of nodal variables for each relaxation time constant needed by the Maxwell solid. Recent developments in modeling viscoelastic material behavior with strain variables that are conjugate to the elastic strain measures are combined with advances in modeling through-the-thickness stresses and strains in thick beams. The result is a viscous thick-beam finite element that possesses superior characteristics for transient analysis since its nodal viscous forces are not linearly dependent an the nodal velocities, which is the case when damping matrices are used. Instead, the nodal viscous forces are directly dependent on the material's relaxation spectrum and the history of the nodal variables through a differential form of the constitutive law for a Maxwell solid. The thick beam quasistatic analysis is explored herein as a first step towards developing more complex viscoelastic models for thick plates and shells, and for dynamic analyses. The internal variable constitutive theory is derived directly from the Boltzmann superposition theorem. The mechanical strains and the conjugate internal strains are shown to be related through a system of first-order, ordinary differential equations. The total time-dependent stress is the superposition of its elastic and viscous components. Equations of motion for the solid are derived from the virtual work principle using the total time-dependent stress. Numerical examples for the problems of relaxation, creep, and cyclic creep are carried out for a beam made from an orthotropic Maxwell solid.

Johnson, Arthur R.↗

Better Modeling of Electrostatic Discharge in an Insulator

An improved mathematical model has been developed of the time dependence of buildup or decay of electric charge in a high-resistivity (nominally insulating) material. The model is intended primarily for use in extracting the DC electrical resistivity of such a material from voltage -vs.- current measurements performed repeatedly on a sample of the material over a time comparable to the longest characteristic times (typically of the order of months) that govern the evolution of relevant properties of the material. This model is an alternative to a prior simplistic macroscopic model that yields results differing from the results of the time-dependent measurements by two to three orders of magnitude.

Pekov, Mihail↗

Alkali-silica reaction expansion model for confined concrete with stress-dependency and casting direction anisotropy

Alkali-silica reaction (ASR) is a deleterious chemical reaction between alkali hydroxyl ions and types of silica found in some aggregates of concrete. Owners and regulators of nuclear power plants aim to ensure the safety of the concrete structures with optimal maintenance strategies. A new model was developed for predicting the expansion of concrete structures affected by alkali-silica reaction. The model includes a novel combination of existing models as an alkali-silica reaction advancement model, a casting direction anisotropic expansion model, a stress-dependent anisotropic expansion model, and a material property evolution model dependent on the degree of ASR expansion. The model parameters were calibrated based on existing literature data and data generated by previous efforts of this study. The calibrated model was then validated with the experiments carried out in previous efforts of this study. The model was shown to accurately predict the ASR-expansion of large-scale reinforced concrete specimens with confinement.

36 MATERIALS SCIENCE↗

Reliability Modeling of Brittle Anisotropic Materials

A significant effort is being made to develop testing and design methodologies that will account for the lack of ductility and the strength anisotropy exhibited by brittle single crystals such as NiAl. The present approach is to modify existing test methods and brittle design methodologies, such as those applied to ceramics and glasses, and to experimentally verify the results. This paper focuses on the basic materials properties and strength behavior of a NiAl single crystal alloy and the development of a reliability model for the design of components subjected to multiaxial stresses.

Conceivably↗

Physical and technical basis of Materials Plasma Exposure eXperiment from modeling and Proto-MPEX results *

Abstract The Materials Plasma Exposure eXperiment (MPEX) is a steady-state linear plasma device that will address plasma-material interaction (PMI) science and enable testing of fusion reactor-relevant divertor plasma-facing materials. The MPEX source concept consists of a helicon plasma source to generate the plasma, electron cyclotron heating (ECH) for electron heating, and ion cyclotron heating (ICH) for ion heating. The MPEX source plasma is then transported axially to the PMI material target region to test material samples in fusion reactor-relevant divertor conditions. This paper will summarize the physical and technical basis of MPEX. The paper will first define the MPEX parameters and scenarios at the target relevant to PMI science for various fusion reactor-relevant divertor conditions and show plasma transport modeling results to set the MPEX source parameters. Recent experimental and modeling results from Proto-MPEX, a short-pulse experiment to develop the plasma production, heating, and transport physics for MPEX, will be shown. From these results, it will be shown that MPEX can reach its desired scenarios. The MPEX physical and technical basis will also determine important functional requirements for magnetic field, radiofrequency (RF) power, RF frequency, and neutral pressure in the helicon, ECH, ICH, and PMI regions that are required to achieve the desired MPEX scenarios. The necessity for key in-vessel components such as skimmers, limiters, and microwave absorbers will also be highlighted.

Lau, C. (ORCID:0000000285765867)↗

Bayesian characterization and forward propagation of the uncertainty in thermodynamic models for redox active materials

Demonstrating the thermodynamic efficiency of hydrogen conversion processes using various materials is a critical step in developing new technologies for storing concentrated solar energy, and is largely accomplished by using a thermodynamic model derived from experimental data. A main goal of this project is to calculate the uncertainty of the thermodynamic efficiency by calculating the uncertainty of the components that feed into the efficiency. Many different models and data sets were used to test the workflow. First, the models were fit to the data using a Bayesian Inference and a method called Markov Chain Monte Carlo (MCMC), which found the maximum a priori parameters, and a posterior probability distribution of the parameters. Next, the different models were compared to each other using model evidence values. It was found that for cleaner data sets, overfitting had not yet been reached, and the most complicated model was ideal, but on the noisier data sets, the less complex models were favored because the more complicated models resulted in overfitting. Next, forward propagation was used to calculate the enthalpy change and its associated uncertainty. A few variations on the models were tried, such as fitting in a different variable, producing negligible or negative effects on the fits of the models. Thus, the original models were used. A sensitivity analysis was performed, and used to calculate the model error. On the cleaner data sets, there was very minimal experimental noise, and thus, all resulting error was from the model. With consideration of the model error, the models fit the data very well, and the simpler model had a high model error, as expected. All these components will then be used to calculate the thermodynamic efficiency of the different materials.

14 SOLAR ENERGY↗

Constitutive modeling of inelastic anisotropic material response

A constitutive equation was developed to predict the inelastic thermomechanical response of single crystal turbine blades. These equations are essential for developing accurate finite element models of hot section components and contribute significantly to the understanding and prediction of crack initiation and propagation. The method used was limited to unified state variable constitutive equations. Two approaches to developing an anisotropic constitutive equation were reviewed. One approach was to apply the Stouffer-Bodner representation for deformation induced anisotropy to materials with an initial anisotropy such as single crystals. The second approach was to determine the global inelastic strain rate from the contribution of the slip in each of the possible crystallographic slip systems. A three dimensional finite element is being developed with a variable constitutive equation link that can be used for constitutive equation development and to predict the response of an experiment using the actual specimen geometry and loading conditions.

Stouffer, D. C.↗

An Update to a Conformal Ablative Thermal Protection System for Planetary and Human Exploration Missions

As described at IPPW-10, in FY12, the CA-TPS element focused on establishing materials requirements based on MSL-type and COTS Low Earth orbit (LEO) conditions (q 250 Wcm2) to develop and deliver a conformal ablative TPS. This involved down selecting, manufacturing and testing two of the best candidate materials, demonstrating uniform infiltration of resins into baseline 2-cm thick carbon felt, selecting a primary conformal material formulation based on novel arc jet and basic material properties testing, developing and demonstrating instrumentation for felt-based materials and, based on the data, developing a low fidelity material response model so that the conformal ablator TPS thickness for missions could be established. In addition, the project began to develop Industry Partnerships. Since the nominal thickness of baseline carbon felts was only 2-cm, a partnership with a rayon felt developer was made in order to upgrade equipment, establish the processes required and attempt to manufacture 10-cm thick white goods. A partnership with a processing house was made to develop the methodology to carbonize large pieces of the white goods into 7.5-cm thick carbon felt. In FY13, more advanced testing and modeling of the down selected conformal material was performed. Material thermal properties tests and structural properties tests were performed. The first 3 and 4-point bend tests were performed on the conformal ablator as well as PICA for comparison and the conformal ablator had outstanding behavior compared to PICA. Arc jet testing was performed with instrumented samples of both the conformal ablator and standard PICA at heating rates ranging from 40 to 400 Wcm2 and shear as high as 600 Pa. The results from these tests showed a remarkable improvement in the thermal penetration through the conformal ablator when compared to PICAs response. The data from these tests were used to develop a mid-fidelity thermal response model. Additional arc jet testing in the same conditions on various seam designs were very successful in showing that the material could be joined with a minimum of adhesive and required no complicated gap and gap filler design for installation. In addition, the partnership with industry to manufacture thicker rayon felt was very successful. The vendor made a 2-m wide by 30-m long sample of 10-cm thick rayon felt. When carbonized, the resulting thickness was over 7.5-cm thick, nearly 4 times the thickest off-the-shelf carbon felt. In FY14, the project has initiated a partnership with another vendor to begin the scale-up manufacturing effort. This year, the vendor will duplicate the process and manufacture at the current scale for comparison with NASA-processed materials. Properties testing and arc jet testing will be performed on the vendor-processed materials. Planning for manufacturing large, 1-m x 1-m, panels will begin as well. In FY15, the vendor will then manufacture large panels and the project will build a 2-m x 2-m Manufacturing Demonstration Unit (MDU).

Ablative materials↗