arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 1503.03987cond-mat.mtrl-sci
收藏

MMonCa:辐照损伤演化和缺陷扩散的目标动力学Monte Carlo模拟器

MMonCa: An Object Kinetic Monte Carlo simulator for damage irradiation evolution and defect diffusion

Ignacio Martin-Bragado, Antonio Rivera, Gonzalo Valles, Jose Luis Gomez-Selles, María J. Caturla

摘要:

在这项工作中,我们介绍了对象动力学蒙特卡罗(OKMC)模拟器MMonCa和模拟三种不同的材料中的缺陷演化。我们首先解释OKMC的理论,并展示如何通过在我们想要模拟的对象中创建通用结构和算法来实现这种理论的一些细节。然后,我们成功地再现模拟结果的缺陷演变的铁,硅和钨使用我们的模拟器,并与现有的实验数据和类似的模拟比较。比较验证MMonCa显示它是强大的和灵活的,足以被定制和用于研究在广泛的固体材料中的缺陷的损伤演化。

英文摘要:

In this work we introduce the Object Kinetic Monte Carlo (OKMC) simulator MMonCa and simulate the defect evolution in three different materials. We start by explaining the theory of OKMC and showing some details of how such theory is implemented by creating generic structures and algorithms in the objects that we want to simulate. Then we successfully reproduce simulated results for defect evolution in iron, silicon and tungsten using our simulator and compare with available experimental data and similar simulations. The comparisons validate MMonCa showing that it is powerful and flexible enough to be customized and used to study the damage evolution of defects in a wide range of solid materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑