Nonlinear dislocation motion via nonequilibrium molecular dynamics

Abstract

Methods are developed to treat the nonlinear propagation of edge dislocations in atomic lattices. Static or low‐velocity calculations incorporate Eshelby’s analytic solution of the elastic equations. At higher, even transonic velocities, a novel fixed‐displacement boundary is used to allow steady‐state propagation of edge dislocations. These techniques are applied to crystals with the triangular‐lattice structure. The dependence of the Peierls‐Nabarro strain and propagation velocity on the range of the forces is studied. Propagation at higher strains and nonlinear effects, transonic dislocation velocities and climb, are also described.