Atomistic simulation of rapid compression of fractured silicon carbide

Deformation mechanisms of a crack in silicon carbide under high-rate compression are investigated by molecular dynamics simulation. The penny-shaped crack is in tension throughout the simulation while a variable compression is applied in an in-plane direction. Two different mechanisms of crack-tip response are observed: (1) At low tension, a disordered band forms from the crack surface in the direction orthogonal to the compression, which grows as the compressional force is increased in a manner suggesting a stress-induced transition from an ordered to a disordered phase. Moreover the crack is observed to close. (2) At a tension sufficient to allow the crack to remain open, the compressional stress induces formation of disordered regions along the boundaries of the opened crack, which grow and merge into a band as the compression proceeds. This process is driven by bending of the initial crack, which transforms into a curved slit. This mechanism induces incorporation of fragments of perfect crystal into the disordered band. Similar mechanisms have been experimentally observed to occur in porous SiC under high-strain rate compression. 2006 Elsevier B.V. All rights reserved. PACS: 62.20.Mk; 62.50.+p