Atomic Scale Simulation of Point Defects Diffusion and Reactions Using Transputers

概要

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The diffusion and agglomeration of point defects under high energy electron irradiation have been examined by the means of parallel computing. The whole process is divided into independent diffusion processes running in parallel and communications between these processes to represent the reactions. We have calculated the concentration of point defects and extended defects and the size of the latter, and compared them to the results of the chemical reaction rate theory and to experimental data. Furthemore, we have shown that under high irradiation rates, small deviations due to the random nature of the process may, in some circumstances, lead to catastrophic situations as the result of enhancement of the reactions due to local interactions.
1998-05-15