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Molecular dynamics simulation of latent track formation in α-quartz
引用本文:兰春娥,薛建明,王宇钢,张燕文.Molecular dynamics simulation of latent track formation in α-quartz[J].中国物理 C,2013,37(3):128-134.
作者姓名:兰春娥  薛建明  王宇钢  张燕文
作者单位:1 State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871, China;;2 Center for Applied Physics and Technology, Peking University, Beijing 100871, China;;3 Department of Materials Science & Engineering, University of Tennessee, Knoxville, TN 37996, USA;;4 Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
基金项目: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.

关 键 词:latent  ion  track  α-quartz  coordination  defects  molecular  dynamics  simulation
收稿时间:2012-4-19
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