ATOMIC-SCALE MODELLING OF DISLOCATION BEHAVIOUR UNDER STRESS

摘要

Computer simulation is used to investigate glide of an edge dislocation in α-iron over large distances on the atomic scale and in the presence of obstacles in the form of either voids or coherent copper precipitates. Strength characteristics and dislocation configuration information are obtained, and atomic-scale mechanisms associated with strengthening due to these obstacles are identified. The role of a dislocation-induced phase transformation in the larger copper precipitates is revealed. The results are compared with those obtained from models based on continuum treatments.