首页> 中文期刊> 《中国物理快报:英文版》 >Theoretical Study of the Structural and Thermodynamic Properties of Amorphous SiO_(2) and Amorphous SiO_(2) with an Oxygen Defect Center

Theoretical Study of the Structural and Thermodynamic Properties of Amorphous SiO_(2) and Amorphous SiO_(2) with an Oxygen Defect Center

         

摘要

Structural properties and thermodynamic properties of amorphous SiO_(2)(a-SiO_(2)) and amorphous SiO_(2) with an oxygen defect ceuter (a-SiO_(2)-ODC) are investigated by using interatomic pair potentials.Amorphous configurations of SiO_(2) glass are constructed by quenching using the molecular-dynamics method and subsequent relaxation using the first-principles method.The numerical result demonstrates that the calculated short-range structural parameters coincide well with the previous experimental and theoretical results reported.The thermodynamic properties including specific heat,Debye temperature,vibrational entropy,and so on are analyzed by calculating the phonon density.Furthermore,mechanical properties of both structures are obtained.

著录项

相似文献

  • 中文文献
  • 外文文献
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号