화학공학소재연구정보센터
International Journal of Molecular Sciences, Vol.10, No.6, 2798-2808, 2009
Lattice Strain Due to an Atomic Vacancy
Volumetric strain can be divided into two parts: strain due to bond distance change and strain due to vacancy sources and sinks. In this paper, efforts are focused on studying the atomic lattice strain due to a vacancy in an FCC metal lattice with molecular dynamics simulation (MDS). The result has been compared with that from a continuum mechanics method. It is shown that using a continuum mechanics approach yields constitutive results similar to the ones obtained based purely on molecular dynamics considerations.