Measures of discontinuities for crystal damaging

Abstract

Single crystal equilibrium states with discontinuities have been obtained under uniaxial stretching using discrete atomistic simulation. These states may contain different numbers of defects depending on the applied mechanical energy. The increase of the applied energy via specimen elongation leads to bifurcations of the internal material degree of freedom. Each bifurcation is accompanied with a jump of the internal energy and formation of a new discontinuity. Several parameters were considered as the applicants to be a measure of the defect structure (internal degree of freedom). The averaged gradient of the local material density logarithm was chosen as one of the most appropriate variants.