A molecular dynamics simulation of the influence of defect on the melting of β-crystobalite

摘要：

　　In this paper, the influence of defect on the melting process of β-crystobalite has been studied using molecular dynamics simulations.Using the bond evolution, it can be found that the melting process is intimately related to the formation of defect.Meanwhile, there are some differences in the melting process between β-crystobalite.In addition, the pre-existing defect (void) contributes to the damage of SiO2 materials.Our estimated melting temperature of the intact β-crystobalite is higher than the experimental value.But the introduction of void can reduce the melting temperature of the SiO2material.

关键词： Molecular dynamics simulation The vacancy cluster β-crystobalite

作者: Hui-ran LI Hai-jun JI Zhi-yuan LI Xin-lu CHENG

作者单位: Equipment Support Department, Logistics University Of Peoples Armed Place Force, Tianjin 300309 Chi Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;Key Laboratory

会议类型: 国际会议

会议名称: 2018 International Conference on Defence Technology (2018国际防务技术会议)

会议地点: 北京

会议语种:英文

页码: 478-482

在线出版日期: 2018-10-21（万方平台首次上网日期，不代表论文的发表时间）