Periodic boundary conditions for three dimensional dislocation dynamics [report]

H., Diaz de la Rubia, T. Huang
1997 unpublished
DISCLAIMER This repo@ W bem rvprodaced directly from the best waikbk copy. Availabk toDOE end DOE contractedfmn tbe ofke ofscfenrifk amdTecbaicel InYametion P.o. BOx6%08kRidgesl'N3YU1 Prices 8V~hbk from (61S) 6'?LL860FIS W-MOl Avaihbie to tbe pubIkfrom tbe Nationat Tecbnicel Informetioo service us. DqwbnentOfcommerce S2S5 PortRoyal Rd.) Spriagfkld, VA 22161 . ABSTRACT The boundary conditions in three dimensional Dislocation Dynamics (DD) simulations have always been a matter of concern. Two
more » ... s of boundary conditions, quasi-free-surface and reflection boundaries are currently being used by groups in Grenoble, France and Pullman, Washington. In this paper, we present a mathematical transformation that enables simulations of dislocation evolution processes in single crystals using periodic boundary conditions (PBCS). The idea is graphically demonstrated with transformation matrices given for BCC crystal systems. Extension to other crystal structures is also discussed. Comparing to the existing boundary conditions, the new approach (1) balances the dislocation flux in and out of a computational cell; and (2) does not require artificial termination of dislocations in the bulk. .
doi:10.2172/562075 fatcat:cdcd5tmbgfbkrf75ayevd25suy