Computer simulation of displacement cascades and the defects they generate in metals

Molecular dynamics (MD) computer simulation provides information that cannot be obtained by other means on the primary state of damage due to displacement cascades in metals. Progress in a number of topics in this field is reviewed here. It includes research dealing with the effect on defect formation in pure metals and alloys of primary knock-on atom (PKA) energy and irradiation temperature. Clear views on dependencies and trends have emerged in these areas. In terms of the development of models to describe the evolution of radiation damage and its role in phenomena such as irradiation-induced hardening, creep and swelling, the important parameters are not only the total number of Frenkel defects but also the distribution of their population in clusters and the form and mobility of these clusters. Recent results on these aspects are presented and it is shown that computer simulation provides detailed information that paves the way for successful development of models of the evolution of damage beyond the stage of the cascade process.