A methodology was devised to utilize the statistical mechanical entropy of an isolated, constrained atomistic system to define constitutive response functions for the dissipative driving-force and energetic fields in continuum thermomechanics. A thermodynamic model of dislocation mechanics was discussed as an example. Primary outcomes were constitutive relations for the back-stress tensor and the Cauchy stress tensor in terms of the elastic distortion, mass density, polar dislocation density, and the scalar statistical density.

Microcanonical Entropy and Mesoscale Dislocation Mechanics and Plasticity. A.Acharya: Journal of Elasticity, 2011, 104[1-2], 23-44