title: An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature.
abstract: Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with "exact" fully atomistic results.
authors.affiliation: Department of Agronomy and Horticulture, University of Nebraska-Lincoln, Lincoln, Nebraska 68583, USA.
authors.forename: D J
authors.initials: DJ
authors.lastname: Diestler
authors.forename: Z-B
authors.initials: ZB
authors.lastname: Wu
authors.forename: X C
authors.initials: XC
authors.lastname: Zeng