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Theoretical investigation of vibrational and electronic properties of HMX crystal under uniaxial compression

  • 【作者】Junyu Fan, Nan Gao, Pengju Wang
  • 【刊名】Journal of physics. Condensed matter : an Institute of Physics journal
  • 【作者单位】Affiliations 1 Department of Physics, Taiyuan Normal University, No. 319, Daxue Street, Yuci District, Jinzhong City, Shanxi Province, Taiyuan, 030619, CHINA. 2 Taizhou University, No. 1139 Shifu Avenue, Taizhou City, Zhejiang Province, Taizhou, 317000, CHINA. 3 Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, No.2 Linggong Road, Ganjingzi District, Dalian City, Liaoning Province, P.R.C., Dalian, Liaoning, 116024, CHINA.
  • 【年份】2022
  • 【ISSN】1361-648X
  • 【关键词】Electronic properties Energetic materials First-principles calculations Uniaxial compression Vibrational properties 
  • 【摘要】 HMX is a typical energetic molecular crystal with excellent detonation performance and good thermal stability, has been widely used in military and civilian purposes. In this work, the vibrational properties of HMX combined with structure and electro...
  • 【文献类型】 期刊
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