Authors: L. Bassman, K. Garikipati and M. Deal
Affilation: Stanford University, United States
Pages: 459 - 462
Keywords: thermodynamics, continuum mechanics, self-diffusion, creep, finite element methods
A new formulation and computational framework is presented for modeling coupled self-diffusion and mechanics in polycrystalline materials. The continuum formulation includes constitutive models derived from lattice-level thermodynamic and mechanical considerations. From a complete statement of the change in free energy with respect to changes in strain and concentrations of atoms and vacancies, constitutive equations for both stress and chemical potential are derived in a consistent manner. Advanced finite element methods are used for stable solution of the system of governing equations. An example demonstrates stress-mediated creep due to vacancy diffusion.