@inproceedings{853437ed86a04d2882cdd1a45ef7c6b4,
title = "α-β phase transition of quartz based on molecular dynamics simulations",
abstract = "α-β phase transition of quartz has a strong impact on its dielectric properties. This paper introduces molecular dynamics to simulate the phase transition of α-β quartz. Firstly, build the α-quartz model, and then simulate the dynamical property in ensemble NPT at different temperatures. With varied temperatures, the values of structure properties like bond length and bond angle were changed. The changes are distinct near the α-β phase transition temperature. At the same time, the other parameters like density and so on were also changed in the process. By analyzing the changes of these parameters, we can obtain the temperature of phase transition. This simulation temperature is consistent with the experiment data. Findings in this paper may present useful information for processing of the SiO2 phase transition.",
keywords = "Molecular dynamics, Quartz, α-β phase transition",
author = "Yonghong Cheng and Naidong Luo and Xiaojun Xie and Mang Li and Lili Jiang and Sujiao Yu",
year = "2009",
doi = "10.1109/ICPADM.2009.5252408",
language = "英语",
isbn = "9781424443680",
series = "Proceedings of the IEEE International Conference on Properties and Applications of Dielectric Materials",
pages = "378--381",
booktitle = "2009 IEEE 9th International Conference on the Properties and Applications of Dielectric Materials, ICPADM 2009",
note = "2009 IEEE 9th International Conference on the Properties and Applications of Dielectric Materials, ICPADM 2009 ; Conference date: 19-07-2009 Through 23-07-2009",
}