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Atomic scale simulation of extended defects formation under high energy electron irradiation: space distribution

机译：高能电子辐照下扩展缺陷形成的原子尺度模拟：空间分布

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Atomic scale simulation (ASS) of the diffusion and agglomeration of point defects under high energy electron irradiation has been treated by means of a personal computer. The physical model has been developed by using the Monte Carlo technique. We have assumed that vacancy-interstitial pairs are created by particle impact. The diffusion of point defects through the solid and their association. forms a nucleus for a new dislocation loop and the incorporation of interstitials into already existing dislocation loops leads to their growth. We have determined the concentration of point defects and extended defects and size of these latters. and compared them with the results of the chemical reaction rate theory (CRRT) and to experimental data. Some comparisons are also made with the results performed on parallel computers (J. Japanese Psychosom. Soc. 37 (1998) 2703) and the raisons for lack of quantitative and qualitative agreements are discussed. The spatial distribution of extended defects and point defects has been studied. We found that the spatial distribution of vacancies around of extended defects reduces their further growth. This type of information is totally occulted in the CRRT. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 13]
机译：在高能电子辐照下，点缺陷的扩散和聚集的原子尺度模拟（ASS）已经通过个人计算机进行了处理。物理模型是通过使用蒙特卡洛技术开发的。我们假定空位-间隙对是由粒子碰撞产生的。点缺陷通过实体及其关联的扩散。形成一个新的位错环的核心，而将空隙插入到现有的位错环中会导致其增长。我们已经确定了点缺陷的集中度以及这些缺陷的扩展缺陷和大小。并将其与化学反应速率理论（CRRT）的结果和实验数据进行比较。还对在并行计算机上执行的结果进行了一些比较（J. Japanese Psychosom。Soc。37（1998）2703），并讨论了缺乏定量和定性协议的原因。研究了扩展缺陷和点缺陷的空间分布。我们发现扩展缺陷周围空位的空间分布会降低其进一步的增长。 CRRT完全掩盖了这种信息。 （C）2001 Elsevier Science B.V.保留所有权利。 [参考：13]

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