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Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon
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Chuan-Min MENG, Guang-Fu JI, Hai-Jun HUANG
Chinese Journal of High Pressure Physics | 2005, 19(4) : 353 - 356
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Chinese Journal of High Pressure Physics | 2005, 19(4): 353-356
Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon
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Chuan-Min MENG, Guang-Fu JI, Hai-Jun HUANG
Affiliations
  • Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang 621900, China
Published: 2005-12-05
Outline
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DFT-LDA method has been performed on calculations for fcc structure solid agon. The equation of state and adiabatic elastic properties of solid argon has been calculated up to 82 GPa. The results are in good agreement with the experimental data. The calculation indicates that the elastic properties and p-V relationship of solid argon can be obtained with local density approximation. If the parameters for calculation can be chosen properly, the elastic properties and p-V relationship of solid argon can be calculated exactly and save large of resource of computation at the same time.

solid argon  /  equation of state  /  elastic stiffness coefficients  /  local density approximate
孟川民, 姬广富, 黄海军. 固氩高压物态方程和弹性性质的密度泛函理论计算. 高压物理学报, 2005 , 19 (4) : 353 -356 .
Chuan-Min MENG, Guang-Fu JI, Hai-Jun HUANG. Density-Functional Calculation of the EOS and Adiabatic Elastic Properties for Solid Argon[J]. Chinese Journal of High Pressure Physics, 2005 , 19 (4) : 353 -356 .
Year 2005 volume 19 Issue 4
19
1
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Article Info
  • Receive Date:2004-06-24
  • Online Date:2026-11-01
  • Published:2005-12-05
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  • Received:2004-06-24
  • Revised:2004-11-17
Affiliations
    Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang 621900, 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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