Applying Cauchy‐Born rule for converting atomistic model to continuum model

Abstract

The Cauchy‐Born rule has been applied in the Quasicontinuum method to derive continuum material properties based on underlying atomistic model in a physically consistent way. In this short work, the procedure is demonstrated, where the resulted materials constants are compared with experimental data found in literature. Moreover, the condition for applying the Cauchy‐Born rule is discussed, with an intuitive explanation for why it can be only applied to crystalline materials with perfect structure. (© 2010 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)