Computational Materials Modeling
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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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Abstract not provided.
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A probabilistic general material strength degradation model has been developed for structural components of aerospace propulsion systems subjected to diverse random effects. The model has been implemented in two FORTRAN programs, PROMISS (Probabilistic Material Strength Simulator) and PROMISC (Probabilistic Material Strength Calibrator). PROMISS calculates the random lifetime strength of an aerospace propulsion component due to as many as eighteen diverse random effects. Results are presented in the form of probability density functions and cumulative distribution functions of lifetime strength. PROMISC calibrates the model by calculating the values of empirical material constants.
A material model which incorporates several key capabilities which have been identified as lacking in currently available composite impact models has been developed. The material model utilizes experimentally based tabulated input to define the evolution of plasticity and damage as opposed to specifying discrete input parameters (such as modulus and strength). It has been implemented into the commercially available transient dynamic finite element code LS-DYNA® as MAT_213. The model can simulate the nonlinear deformation, damage and failure that take place in a composite under dynamic loading conditions. As MAT_213 is now being used by a general user community that did not participate in the model development process, a number of issues have been identified that caused uncertainty in assembling a MAT_213 input deck and conducting a MAT_213 analysis. The overall goal of this effort is to develop a quantified set of lessons learned and best practices which will permit a new user to conduct useful MAT_213 simulations without needing to have detailed expert knowledge of the material model and its theoretical underpinnings.
A parametric study was conducted to gage the sensitivity of simulations of low-velocity impacts on laminated composite panels to various finite element model and material model features. The material model used in this parametric study was previously verified and validated for conducting progressive damage analyses of post-buckled composite structures subjected to quasi-static loading conditions. Based on the results of this parametric study, updates have been made to a progressive damage analysis material model and the best practices for its application. Experimental results are compared to computational results obtained with and without the updates to the models. Both thermoset and thermoplastic fiber-reinforced materials are considered. The resulting enhancements to the material model are presented in detail.
A parametric study was conducted to gage the sensitivity of simulations of low-velocity impacts on laminated composite panels to various finite element model and material model features. The material model used in this parametric study was previously verified and validated for conducting progressive damage analyses of post-buckled composite structures subjected to quasi-static loading conditions. Based on the results of this parametric study, updates have been made to a progressive damage analysis material model and the best practices for its application. Experimental results are compared to computational results obtained with and without the updates to the models. Both thermoset and thermoplastic fiber-reinforced materials are considered. The resulting enhancements to the material model are presented in detail.
Models that predict the failure probability of brittle materials under multiaxial loading have been developed by authors such as Batdorf, Evans, and Matsuo. These "unit-sphere" models assume that the strength-controlling flaws are randomly oriented, noninteracting planar microcracks of specified geometry but of variable size. This methodology has been extended to predict the multiaxial strength response of transversely isotropic brittle materials, including polymer matrix composites (PMCs), by considering (1) flaw-orientation anisotropy, whereby a preexisting microcrack has a higher likelihood of being oriented in one direction over another direction, and (2) critical strength, or K (sub Ic) orientation anisotropy, whereby the level of critical strength or fracture toughness for mode I crack propagation, K (sub Ic), changes with regard to the orientation of the microstructure. In this report, results from finite element analysis of a fiber-reinforced-matrix unit cell were used with the unit-sphere model to predict the biaxial strength response of a unidirectional PMC previously reported from the World-Wide Failure Exercise. Results for nuclear-grade graphite materials under biaxial loading are also shown for comparison. This effort was successful in predicting the multiaxial strength response for the chosen problems. Findings regarding stress-state interactions and failure modes also are provided.
Modeling the behavior of superconducting electronic circuits containing Josephson junctions is crucial for the design of superconducting information processors and devices. In this paper, we introduce DEC-QED, a computational approach for modeling the electrodynamics of superconducting electronic circuits containing Josephson junctions in arbitrary three-dimensional electromagnetic environments. DEC-QED captures the nonlinear response and induced currents in BCS superconductors and accurately captures phenomena such as the Meissner effect, flux quantization, and Josephson effects. Using a spatial coarse-graining formulation based on discrete exterior calculus (DEC), DEC-QED can accurately simulate transient and long-time dynamics in superconductors. Finally, the expression of the entire electrodynamic problem in terms of the gauge-invariant flux field and charges makes the resulting classical field theory suitable for second quantization.
Abstract not provided.
Modeling of phenomena such as anomalous transport via fractional-order differential equations has been established as an effective alternative to partial differential equations, due to the inherent ability to describe large-scale behavior with greater efficiency than fully-resolved classical models. In this review article, we first provide a broad overview of fractional-order derivatives with a clear emphasis on the stochastic processes that underlie their use. We then survey three exemplary application areas – subsurface transport, turbulence, and anomalous materials – in which fractional-order differential equations provide accurate and predictive models. For each area, we report on the evidence of anomalous behavior that justifies the use of fractional-order models, and survey both foundational models as well as more expressive state-of-the-art models. We also propose avenues for future research, including more advanced and physically sound models, as well as tools for calibration and discovery of fractional-order models.
Models of primary processes leading to deactivation of energy deposited by a pulse of high energy electrons were derived for epoxy matrix materials and polyl-vinyl naphthalene. The basic conclusion is that recombination of initially formed charged states is complete within 1 nanosecond, and subsequent degradation chemistry is controlled by the reactivity of these excited states. Excited states in both systems form complexes with ground state molecules. These excimers or exciplexes have their characteristics emissive and absorptive properties and may decay to form separated pairs of ground state molecules, cross over to the triplet manifold or emit fluorescence. ESR studies and chemical analyses subsequent to pulse radiolysis were performed in order to estimate bond cleavage probabilities and net reaction rates. The energy deactivation models which were proposed to interpret these data have led to the development of radiation stabilization criteria for these systems.
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