A MOLECULAR DYNAMICS AND AN ELASTIC CONTINUUM STUDY OF SCREW DISLOCATIONS IN COPPER

摘要

One of the methodologies in the study of plasticity is the bottom-up approach, in which rules for dislocations dynamics serve macroscopic continuum constitutive models. Experimental studies of dislocation motion are not able yet to follow in detail the microscopic dynamics of the dislocation. Using molecular dynamics (MD) the motion of dislocations under stress has been studied in detail for Cu as a function of both temperature and stress, and was used to deduce an elastic-continuum model for dislocation motion. In addition, preliminary MD calculation results of screw dislocation cross-slip are presented.