Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials.
A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonzero temperature is presented. The system is coarse grained by means of a finite-element mesh. The coarse-grained free-energy functional (of the positions of the nodes of the mesh) appropriate to the thermodynamic-state variables controlled in the relevant process is minimized. Tests of the new procedure on a Lennard-Jonesium crystal yield thermomechanical properties in good agreement with the "exact" atomistic results.
Zhou
H
H
Department of Engineering Mechanics, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA.
Feng
R
R
Diestler
D J
DJ
Zeng
X C
XC