Particle-based approach to the Eulerian distortion field and its dynamics

Abstract

The Eulerian distortion field is an essential ingredient for the continuum modeling of finite elastic and inelastic deformations of materials; however, its relation to finer levels of description has not yet been established. This paper provides a definition of the Eulerian distortion field in terms of the arrangement of the constituent microscopic particles, which is beneficial for fundamental studies as well as for the analysis of computer simulations, e.g., molecular dynamics simulations. Using coarse graining and nonequilibrium thermodynamics, the dynamics of the Eulerian distortion field is examined in detail and related to the underlying dynamics of the particles. First, the usual kinematics of the distortion and the known expression for the Cauchy stress tensor are recovered. And second, it is found that the Mandel stress and the plastic deformation-rate tensor in the natural configuration constitute the relevant force–flux pair for the relaxation of the distortion. Finally, the procedure is illustrated on two examples, namely on an amorphous solid and on a crystalline solid with one slip system.