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Equation of State of Solid Neon from Quantum Calculation
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Na WU1, Chun-Ling TIAN1, Fu-Sheng LIU2, An-Nong KUANG1, Hong-Kuan YUAN1, Xing-Rong ZHENG1
Chinese Journal of High Pressure Physics | 2012, 26(1) : 41 - 47
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Chinese Journal of High Pressure Physics | 2012, 26(1): 41-47
Equation of State of Solid Neon from Quantum Calculation
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Na WU1, Chun-Ling TIAN1, Fu-Sheng LIU2, An-Nong KUANG1, Hong-Kuan YUAN1, Xing-Rong ZHENG1
Affiliations
  • 1.School of Physics Science and Technology, Southwest University, Chongqing 400715, China
  • 2.Institute of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031, China
Published: 2012-02-15
Outline
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The interaction energy for fcc-neon-crystals at high pressure is calculated by Hartree-Fock method and the atomic cluster theory. The two- and three-body contributions to the static energy are also studied. Incorporating the influence of the zero-point vibration, the equations of state of fcc neon are calculated and compared with the available experimental 300 K isotherm up to the pressure of 208 GPa. It demonstrates that the calculated isotherm is in good agreement with measurements at pressures above 30 GPa. Compared with the recent predictions, the calculated results systematically improve the 300 K isotherm by 3%-5% between 100 and 210 GPa, and imply more static energy-volume relation at high pressure.

two-body interactions  /  three-body interactions  /  ab initio calculation  /  solid neon  /  equation of state
武娜, 田春玲, 刘福生, 匡安农, 袁宏宽, 郑兴荣. 固氖高压物态方程的量子理论计算. 高压物理学报, 2012 , 26 (1) : 41 -47 .
Na WU, Chun-Ling TIAN, Fu-Sheng LIU, An-Nong KUANG, Hong-Kuan YUAN, Xing-Rong ZHENG. Equation of State of Solid Neon from Quantum Calculation[J]. Chinese Journal of High Pressure Physics, 2012 , 26 (1) : 41 -47 .
Year 2012 volume 26 Issue 1
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Article Info
  • Receive Date:2010-08-20
  • Online Date:2026-11-05
  • Published:2012-02-15
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History
  • Received:2010-08-20
  • Revised:2011-03-30
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Affiliations
    1.School of Physics Science and Technology, Southwest University, Chongqing 400715, China
    2.Institute of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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