Molecular dynamics simulation of latent track formation in α-quartz  

作　　者：兰春娥 薛建明 王宇钢 张燕文 

机构地区：[1]State Key Laboratory of Nuclear Physics and Technology,School of Physics,Peking University [2]Center for Applied Physics and Technology,Peking University [3]Department of Materials Science & Engineering,University of Tennessee [4]Materials Science & Technology Division,Oak Ridge National Laboratory

出　　处：《Chinese Physics C》2013年第3期124-130,共7页中国物理C（英文版）

基　　金：Supported by NSFC(91226202);NSAF(U1230111)

摘　　要：The latent ion track in α-quartz is studied by molecular dynamics simulations. The latent track is created by depositing electron energies into a cylindrical region with a radius of 3nm. In this study, the electron stopping power varies from 3.0keV/nm to 12.0keV/nm, and a continuous latent track is observed for all the simulated values of electron stopping power except 3.0keV/nm. The simulation results indicate that the threshold electron stopping power for a continous latent track lies between 3.0keV/nm and 3.7 keV/nm. In addition, the coordination defects produced in the latent track are analyzed for all the simulation conditions, and the results show that the latent track in α-quartz consists of an O-rich amorphous phase and Si-rich point defects. At the end of this paper, the influence of the energy deposition model on the latent track in α-quartz is investigated. The results indicate that different energy deposition models reveal similar latent track properties. However, the values of the threshold electron stopping power and the ion track radius are dependent on the choice of energy deposition model.The latent ion track in α-quartz is studied by molecular dynamics simulations. The latent track is created by depositing electron energies into a cylindrical region with a radius of 3nm. In this study, the electron stopping power varies from 3.0keV/nm to 12.0keV/nm, and a continuous latent track is observed for all the simulated values of electron stopping power except 3.0keV/nm. The simulation results indicate that the threshold electron stopping power for a continous latent track lies between 3.0keV/nm and 3.7 keV/nm. In addition, the coordination defects produced in the latent track are analyzed for all the simulation conditions, and the results show that the latent track in α-quartz consists of an O-rich amorphous phase and Si-rich point defects. At the end of this paper, the influence of the energy deposition model on the latent track in α-quartz is investigated. The results indicate that different energy deposition models reveal similar latent track properties. However, the values of the threshold electron stopping power and the ion track radius are dependent on the choice of energy deposition model.

关 键 词：latent ion track α-quartz coordination defects molecular dynamics simulation 

分 类 号：O561[理学—原子与分子物理]