PENG Shu ming, ZHAO Peng ji, YANG Mao nian, YAO Shu jiu, LUO Shun zhong, XU Zhi lei (China Academy of Engineering and Physics, Chengdu 610003, China). Simulation on Crystal Structures of Metallic V and Its Hydrides[J]. Atomic Energy Science and Technology, 2000, 34(5): 469-469. DOI: 10.7538/yzk.2000.34.05.0469
Citation: PENG Shu ming, ZHAO Peng ji, YANG Mao nian, YAO Shu jiu, LUO Shun zhong, XU Zhi lei (China Academy of Engineering and Physics, Chengdu 610003, China). Simulation on Crystal Structures of Metallic V and Its Hydrides[J]. Atomic Energy Science and Technology, 2000, 34(5): 469-469. DOI: 10.7538/yzk.2000.34.05.0469
  • The crystal structures of metallic V(bcc) and its hydrides VH x(0≤x≤2) are calculated. The optimized crystal structures and total energies of them are obtained. The phase transitions of V H system with enhancement of hydrogen content in the cell are discussed. The calculatied and experimental results are in agreement very well.
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