A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
نویسندگان
چکیده
منابع مشابه
A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
The aim of this paper is the development of equilibrium and non-equilibrium extensions of the quasicontinuum (QC) method. We first use variational mean-field theory and the maximum-entropy (max-ent) formalism for deriving approximate probability distribution and partition functions for the system. The resulting probability distribution depends locally on atomic temperatures defined for every at...
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ژورنال
عنوان ژورنال: Journal of the Mechanics and Physics of Solids
سال: 2008
ISSN: 0022-5096
DOI: 10.1016/j.jmps.2007.09.005