Abstract
This chapter is an overview on computational material science methods applied to understanding the process–microstructure–property relationships of metallic material systems, or computational metallurgy. The emphasis will be on modeling and predicting the stability (thermodynamics) and the temporal/spatial evolution (kinetics) of microstructures, or computational microstructural science using a combination of electronic/atomistic level first-principles calculations of structures and thermodynamic properties of individual structural phases in a microstructure and interfaces and mesoscale microstructure evolution models.
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