Nonequilibrium Interface Dynamics:
Hierarchical Modeling and Multiscale Simulation of Materials Interfaces

CSIC Building (#406), Seminar Room 4122.
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Mesoscale Issues in Microstructural Simulation II

Dr. Shlomo Ta'asan

Mathematical Science at Carnegie Mellon University

Abstract:   Polycrystalline interfaces play a role in many material properties, for example conductivity and fracture toughness, and across many scales. Preparing arrangements or distributions of boundaries suitable for a given purpose is a central problem in materials. It is, indeed, the central problem of microstructure and has an extensive history dating from prehistory. Grain growth is one of the primary microstructural mechanisms. We may ask many questions, for example as C. S. Smith did, to what extent is grain growth like or unlike the growth of soap bubbles.

We explore in increased detail coarse graining for the large systems of PDE's which arise in the mesoscale simulation of grain growth. These may consist of stochastic models with associated Master Equations. Other circumstances lead to vertex methods. The type of coarse graining we perform depends, in fact, on the type of distribution function or material property we wish to predict. Unresolved challenges to be discussed include texture and grain boundary characterization.