Publications Details

Using atomistic simulations to inform mesoscale simulations of microstructural evolution

Foiles, Stephen M.; Olmsted, David L.; Holm, Elizabeth A.

Predicting and controlling the evolution of materials microstructure is one of the central challenges of materials science. The simulation of microstructural evolution requires a detailed knowledge of the properties, including energies and mobilities, of interfaces in the material. We present the results of molecular dynamics simulations of these interfacial properties for a large set of boundaries.