论空洞膨胀的性质

A. Melker
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引用次数: 1

摘要

在这篇文章中,我们考虑了镍中空位团簇的成核和生长。所有的分子动力学计算都是在基于伪势理论的同一个原子间势的帮助下完成的。研究了合金元素(钨、钪)对空位和双空位的俘获和迁移率的影响,并计算了结合能。发现利用简单的几何原理可以定量分析不同类型的空位团簇(层错四面体、位错环和空隙)。基于计算机模拟发现的空洞生长特性,提出了辐照金属的膨胀机理。该机制包含四个假设,它们解释了为什么纯金属会膨胀,为什么存在膨胀的潜伏期,以及为什么膨胀与照射时间成正比,其中m先大于后小于1。第一阶段的估计为m= 1.87,最后阶段的估计为m=1/3。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
On the nature of void swelling
In this contribution we considered the nucleation and growth of vacancy clusters in nickel. All the molecular dynamics calculations were done with the help of one and the same interatomic potential found on the basis of the pseudopotential theory. We studied influence of alloying elements (tungsten, scandium) on trapping and mobility of vacancies and bivacancies, and calculated binding energies. It was found that different types of vacancy clusters (stacking fault tetrahedra, dislocation loops and voids) can be analyzed quantitatively with the help of simple geometrical principles. Swelling mechanism for irradiated metals, which is based on the peculiarities of void growth discovered by computer simulations, is proposed. The mechanism incorporates four postulates which explain why pure metals swell at all, why there exists incubation time for swelling, and why swelling is proportional to irradiation time to some power m, where m is at first larger and then smaller than one. The estimates give m ≅ 1.87 at the first stage and m=1/3 at the last one.
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