首页> 外文会议>Symposium on microstructural processes in irradiated materials >Mobility of interstitial clusters in HCP zirconium
【24h】

Mobility of interstitial clusters in HCP zirconium

机译:HCP锆中间质簇的流动性

获取原文

摘要

Clusters of self-interstitial atoms (SIAs) formed in displacement cascades in metals irradiated with energetic particles play an important role in microstructure evolution under irradiation. They have been studied in the fcc and bcc metals by atomic scale computer simulation and in this paper we present the first results of a similar study of SIA clusters in an hcp crystal. Clusters of 4 to 30 SIAs were modelled over a wide temperature range using molecular dynamics and a many-body Finnis-Sinclair type interatomic potential for Zr. The results show a qualitative similarity of the dynamic properties of clusters to those for cubic metals. In particular, all clusters larger than 4 SIAs exhibit fast thermally-activated one-dimensional glide, which is in a <1120> direction in the hcp case. Due to the crystallographic features of the hcp lattice, this mechanism leads to two-dimensional mass transport in basal planes. Smaller clusters (≤ 4 SIAs) exhibit behaviour peculiar to the hcp structure, however, for they can migrate two-dimensionally in the basal plane. The jump frequency, activation energy and correlation factors of clusters have been estimated and comparison drawn between the behaviour of SIA clusters in different structures.
机译:用能量粒子照射的金属的位移级联中形成的自隙级联(SIAS)的簇在照射下的微观结构演变中起重要作用。通过原子秤计算机模拟,在FCC和BCC金属中研究了它们,并在本文中介绍了HCP晶体中SIA簇类似研究的第一个结果。使用分子动力学和Zr的许多芬尼斯 - 辛克莱型交叉组电位,在宽温度范围内进行4至30个SIA的簇。结果表明,与立方金属的群集的动态性质的定性相似。特别地,大于4个SAS的所有簇都表现出快速热激活的一维滑动,其在HCP壳体中处于<1120>方向。由于HCP格子的晶体特征,该机构导致基底平面中的二维质量传输。然而,较小的簇(≤4siAs)表现出HCP结构特有的行为,然而,它们可以在基础平面中二维地迁移。估计了群集的跳跃频率,激活能量和相关因子,并在不同结构中的SIA簇的行为之间进行比较。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号