A variational treatment of material configurations with application to interface motion and microstructural evolution

TL;DR

This paper develops a unified variational framework for modeling evolving configurations in crystalline solids, incorporating configurational fields, interface dynamics, and microstructural evolution, with applications demonstrated through numerical examples.

Contribution

It introduces a novel variational approach using a configurational field in the material manifold, addressing both sharp and diffuse interfaces in microstructure evolution.

Findings

Model captures interface motion and microstructure evolution.

Incorporates configurational strain gradient dependence in free energy.

Numerical examples demonstrate the framework's effectiveness.

Abstract

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (Arch. Rat. Mech. Anal. 11, 1962, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. Numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.