Dr. Xu gave invited talk in the CMOS 2017 online conference

A major goal of computational modeling in materials science is the prediction of the properties as a function of microstructural parameters resulted from the previous processing or manufacturing of materials. In this talk, I will demonstrate the development and application of computational modeling at multiple length scales (continuum, microscopic, atomistic, and quantum mechanics) revealing complex changes in energies and structures of materials emerged from nanotechnology. Typical size-dependence of property-structure relationship of nanomaterials will be presented, including thermodynamic phase stability, grain growth kinetics, solid state nanomechanics, and interfacial free energies.