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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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A computational thermodynamic and kinetic study of chlorine binding to the Zr(0001) surface
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An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures
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Mechanism reduction for multicomponent surrogates: A case study using toluene reference fuels
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A DNS study of the ignition of lean PRF/air mixtures with temperature inhomogeneities under high pressure and intermediate temperature
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Global uncertainty analysis for RRKM/master equation based kinetic predictions: A case study of ethanol decomposition
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Chemical kinetic modeling and shock tube study of methyl propanoate decomposition
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Oxidation of cyclopentadienyl radical with molecular oxygen: A theoretical study
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First-principles study of vacancy, interstitial, noble gas atom interstitial and vacancy clusters in bcc-W
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First principles study of Cr poisoning in solid oxide fuel cell cathodes: Application to (La,Sr) CoO3
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Refractive indices of diverse data set of polymers: A computational QSPR based study
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A Potts Model parameter study of particle size, Monte Carlo temperature, and “Particle-Assisted Abnormal Grain Growth”
A Potts Model was proposed to account for temperature and particle heterogeneity-dependent Zener Pinning. This was accomplished by relating the random fluctuations of grain boundary position allowed by the Potts Model switching probability at finite simulation temperature to experimentally observed grain growth stagnation behavior. We assume that these fluctuations arise from random fluctuations in the thermodynamic and kinetic properties of the grain boundaries and/or interfaces as they change with temperature. As an application of this model, the grain growth kinetics of U-10 wt. % Mo nuclear fuels were simulated with the input of microstructural images during different heat treatment processes. Simulated average grain growth behavior is in good agreement with experiments.