The Use of Computer Experiments to Predict Radiation Effects in Solid Materials

Abstract

Prediction of radiation effects requires an analysis of defect annealing in addition to the analysis of the primary damage state directly produced by irradiation. The transient and steady states associated with defect production and annealing depend upon the particular types of defect configurations possible under irradiation conditions. Many of the important defect configurations are much different in character than those which can be produced thermally. Experience has shown that the analysis of radiation effects must be based on discrete particle interaction rather than continuum models, providing one of the main reasons for using the computer experiment method in radiation effects prediction. The methods used to simulate atomic collision cascades in solids and to simulate the crucial initial stages in the subsequent defect annealing process are described and illustrated with results from computer experiment simulations. Special emphasis is placed upon the influence of ceramic- like precipitates on defect production and annealing in reactor structural materials.