在W的辐射下结构缺陷的演变通过分子动力学模拟
Ruxin Zheng1, Wujing Xuan1, Junjun Xie1
1International Joint Laboratory for Light Alloys (MOE), College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China.
Materials (Basel, Switzerland)
|June 28, 2023
概括
分子动力学模拟显示, (W) 中的粒度边界阻碍了辐射期间的缺陷重组. 这一发现对于理解核聚变反应堆材料的抗辐射损伤能力至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 核工程 核工程是指核工程.
- 计算物理 计算物理
背景情况:
- (W) 是由于其抗辐射能力,在聚变反应堆中用于等离子面部元件的候选材料.
- 与粗粒度对应物相比,具有高粒度边界密度的纳米晶体材料可能具有更好的抗辐射损伤能力.
- 控制颗粒边界相互作用与辐射引起的缺陷的精确机制尚不清楚.
研究的目的:
- 研究单晶和双晶中辐射诱导缺陷的演变.
- 阐明颗粒边界在辐射下的缺陷动态中的作用.
- 评估温度和初级敲击原子 (PKA) 能量对缺陷演变的影响.
主要方法:
- 用分子动力学 (MD) 模拟来建模辐射过程.
- 模拟覆盖了3001500K的温度范围.
- 初级敲击原子 (PKA) 的能量从1到15 keV不等.
主要成果:
- 缺陷生成对PKA能量比温度更敏感.
- 较高的PKA能量导致在热峰阶段的缺陷数量增加.
- 颗粒边界阻碍了缺陷重组,并促进了双晶中的空隙聚类.
- 间歇性原子表现出强烈的倾向,在粒边界分离.
结论:
- 颗粒边界通过改变缺陷演化路径,在减轻辐射损伤方面发挥着重要作用.
- 了解谷物边界行为对于设计用于核聚变能源应用的耐辐射构件至关重要.
- MD模拟为辐射材料中缺陷和粒度边界之间的基本相互作用提供了宝贵的见解.
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