Computer simulation of high energy displacement cascades
作者:
H.L. Heinisch,
期刊:
Radiation Effects and Defects in Solids
(Taylor Available online 1990)
卷期:
Volume 113,
issue 1-3
页码: 53-73
ISSN:1042-0150
年代: 1990
DOI:10.1080/10420159008213055
出版商: Taylor & Francis Group
关键词: binary collision;copper;computer simulation;MARLOWE;ALSOME;cascades;subcascades;annealing;defect production;freely migrating defects
数据来源: Taylor
摘要:
A methodology developed for modeling many aspects of high energy displacement cascades with molecular level computer simulations is reviewed. The initial damage state is modeled in the binary collision approximation (using the MARLOWE computer code), and the subsequent disposition of the defects within a cascade is modeled with a Monte Carlo annealing simulation (the ALSOME code). There are few adjustable parameters, and none are set to physically unreasonable values. The basic configurations of the simulated high energy cascades in copper, i.e., the number, size and shape of damage regions, compare well with observations, as do the measured numbers of residual defects and the fractions of freely migrating defects. The success of these simulations is somewhat remarkable, given the relatively simple models of defects and their interactions that are employed. The reason for this success is that the behavior of the defects is very strongly influenced by their initial spatial distributions, which the binary collision approximation adequately models. The MARLOWE/ALSOME system, with input from molecular dynamics and experiments, provides a framework for investigating the influence of high energy cascades on microstructure evolution.
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