INVESTIGATION OF VACANCY FORMATION BY A JOGGED DISSOCIATED DISLOCATION WITH LARGE-SCALE MOLECULAR DYNAMICS AND DISLOCATION ENERGETICS

摘要

A series of massively parallel molecular dynamicssimulations with up to 54 million atoms is performed toinvestigate the formation of vacancies by a moving joggeddissociated dislocation in copper at low temperatures. The jogline is formed by the intersection of two perpendiculardislocations Zhou et al., science 279. 1525 (1998). It isinitially oriented in the 011 direction, along which its motionis conservative, but immediately begins to deviate toward l12.Vacancies are formed behind the jog line either individually orin the form of tubes along 112 or 101. The mechanismresponsible for the deviation of the jog line is revealed withthe help of dislocation energetics and its implication is discussed