Arrangement and Decomposition of Grain Boundary Dislocations: Two-Mode Phase-Field Crystal Simulation

The grain-boundary dislocation arrangement and decomposition during constant-volume deformation of a nanoscale bi-crystal system in fcc-structured materials were studied by using the two-mode phase-field crystal (2PFC) method. effects different grain boundary misorientations (GBMs) tensile directions on are analyzed. In three symmetrical tilt boundaries evaluated PFC, atomic density profile changed periodically at equilibrium. initial samples is almost same when applied to x - or y direction, all symmetrically arranged “bowknot ”structure. stress concentrated with increase strain, can effectively reduce concentration. time steps decreases increasing strain rate. This work facilitates application PFC analysis mechanics an extended range materials.