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Abstract Although very significant progress in modeling microstructural evolution during materials processing has been made in recent years, these models have had little impact because they are not quantitative. The main failure of these models is the lack of realistic atomic scale descriptions of interfacial energetics and, more importantly, mobility. There is an unparalleled opportunity to insert physically based interfacial properties into industrially significant models of materials processing. Our goals are, therefore, to perform state-of-the-art atomistic calculations of interfacial properties and to couple these results directly into mesoscale models of microstructural evolution. The present proposal focuses on two closely related areas of microstructural evolution solidification microstructures (dendrites) and heterogeneous coarsening (grain growth and recrystallization). These two applications share many computational methods and the atomistic input required for each are closely related. |