Jerry Z. Yang, Chao Mao, Xiantao Li, Chun Liu
Published 2013-10-10Version 1
We address several issues regarding the derivation and implementation of the Cauchy-Born approximation of the stress at finite temperature. In particular, an asymptotic expansion is employed to derive a closed form expression for the first Piola-Kirchhoff stress. For systems under periodic boundary conditions, a derivation is presented, which takes into account the translational invariance and clarifies the removal of the zero phonon modes. Also revealed by the asymptotic approach is the role of the smoothness of the interatomic potential. Several numerical examples are provided to validate this approach.
Analytic behavior of the QED polarizability function at finite temperature
Quasi-linear dynamics in nonlinear Schr\" odinger equation with periodic boundary conditions
Boundary conditions and universal finite-size scaling for the hierarchical $|\varphi|^4$ model in dimensions 4 and higher
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