Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Atomistic simulations of helium clustering in copper
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.3 ) Pub Date : 2020-09-17 , DOI: 10.1016/j.nimb.2020.09.003
Min Li , Qing Hou , Jiechao Cui , Mingjie Qiu , Ailin Yang

The formation and growth of helium (He) clusters in copper (Cu) bulk were studied using molecular dynamics simulations. During the growth of a single He cluster in a Cu box, stacking faults were found to occur around the He cluster. Loop punching occurred along the 〈1 1 0〉 crystal direction, which promoted further growth. The He-to-vacancy ratio was calculated as ranging between 1.5 and 2. When He atoms were randomly introduced into a Cu box, multiple He clusters were formed. Thermal diffusion promoted the formation of large He clusters. With the generation of more He clusters, more dislocations were formed, most of which were in the form of Shockley dislocations.



中文翻译:

铜中氦团簇的原子模拟

使用分子动力学模拟研究了氦(He)团簇在铜(Cu)中的形成和生长。在Cu盒中单个He簇的生长过程中,发现在He簇周围发生堆垛层错。沿<1 1 0>晶体方向发生打孔,促进了进一步的生长。He与空位比的计算范围为1.5到2。当将He原子随机引入Cu盒中时,形成了多个He团簇。热扩散促进了大型He团簇的形成。随着更多He团簇的产生,形成了更多的位错,其中大多数以Shockley位错的形式出现。

更新日期:2020-09-18
down
wechat
bug