Hydrogen QRA &HyRAM Toolkit Introduction
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Sandia journal manuscript; Not yet accepted for publication
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Nature Physics
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Welding Journal
We found that the wetting and spreading of molten filler materials (pure Al, pure Ag, and AgAl alloys) on a Kovar ™ (001) substrate was studied with molecular dynamics simulations. A suite of different simulations was used to understand the effects on spreading rates due to alloying as well as reactions with the substrate. Moreover, the important conclusion is that the presence of Al in the alloy enhances the spreading of Ag, while the Ag inhibits the spreading of Al.
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The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quanti cation, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.
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The wedge geometry is a simple geometry for establishing a relatively constant gradient of strain in a forged part. The geometry is used to establish gradients in microstructure and strength as a function of strain, forging temperature, and quenching time after forging. This geometry has previously been used to benchmark predictions of strength and recrystallization using Sandias materials model for type 304L austenitic stainless steel. In this report, the processing conditions, in particular the times to forge and quench the forged parts, are summarized based on information recorded during forging on June 18, 2013 of the so-called wedge geometry from type 316L and 21Cr-6Ni-9Mn austenitic stainless steels.
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Physical Review Letters
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Environmental Research Letters
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Nature Nanotechnology
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Applied Physics Letters
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