Atomistic computer calculation of the dilatation caused by a 1/2 〈111〉 {110} edge dislocation in molybdenum

The volume dilatation effect ΔV/V, caused by an edge dislocation is obtained by a new computer simulation technique, calculating the mean pressure exerted by the dislocation on a cylindric enclosure and extrapolating to infinite cylinder radius. The method, when applied to molybdenum, yields ΔV/V = 0.45b²ϱ expressed in Burgers vector and dislocation density. This compares well with results collected from the literature for a number of metals based on various methods.