COMPUTER SIMULATION OF DISLOCATIONS

Rodolphe Perrin

A review of recent advances in the techniques of computer simulation of dislocations in crystal lattices is given. Two efficient new methods of finding the equilibrium atomic configuration are described in detail. The simple linear anisotropic elastic displacement field which is normally used to determine atomic positions in the boundary surrounding the atomic region does not allow for any non-linear effects in the dislocation core. More sophisticated treatments of this elastic boundary region which can describe the long range effects of core non-linearities, including the dilatation associated with a dislocation, are discussed. Some results on the dissociation of both straight dislocations and loops in copper are presented.

Domaines: Articles anciens

Rodolphe Perrin. COMPUTER SIMULATION OF DISLOCATIONS. Journal de Physique Colloques, 1974, 35 (C7), pp.C7-103-C7-111. ⟨10.1051/jphyscol:1974710⟩. ⟨jpa-00215866⟩