Nondeterministic Multiscale Modeling of Biomimetic Crack Self-Healing in Nanocrystalline Solids under Mechanical Loading

摘要

A nondeterministic multiple scale approach based on numerical solution of the Monte-Carlo master equation coupled with a standard finite-element formulation of material mechanics is presented. The approach is illustrated in application to the long-term evolutionary processes of self-diffusion, precipitation and crack/void healing in nanocrystalline fee and bec solids. Effect of static and dynamic loading patterns on the crack healing rates are investigated. The approach is widely applicable to the modeling and characterization of advanced functional materials with evolutionary internal structure, as well as emerging behavior in materials systems.