A continuum theory for modeling the dynamics of crystalline materials

J Nanosci Nanotechnol. 2009 Feb;9(2):1242-5. doi: 10.1166/jnn.2009.c129.

Abstract

This paper introduces a multiscale field theory for modeling and simulation of the dynamics of crystalline materials. The atomistic formulation of a multiscale field theory is briefly introduced. Its applicability is discussed. A few application examples, including phonon dispersion relations of ferroelectric materials BiScO3 and MgO nano dot under compression are presented.