Abstract：We present a first-principles scheme to investigate the equation of state (EOS) of porous materials, based on our recently developed modified mean-field potential approach. By taking the effect of the structural parameters on the free energy into account, we calculate the total energy of materials with initial different densities and then study the EOS of porous Mo and Sn as a prototype. The calculated results are in good agreement with the experimental data available, which demonstrates that our scheme is suitable for investigating EOS of porous materials over a wide range of porosities and pressures.
. [J]. 中国物理快报, 2014, 31(1): 16402-016402.
SONG Hai-Feng, TIAN Ming-Feng, LIU Hai-Feng, SONG Hong-Zhou, ZHANG Gong-Mu. Theoretical Study on Equation of State of Porous Mo and Sn. Chin. Phys. Lett., 2014, 31(1): 16402-016402.
[1] Li X J, Zhang D Y, Liu F S and Jing F Q 2004 Chin. Phys. Lett.21 2019 [2] Wang W W, Huai X L and Tao Y J 2006 Chin. Phys. Lett.23 1511 [3] Wu Q and Jing F Q 1996 J. Appl. Phys.80 4343 [4] Geng H Y, Tan H and Wu Q 2002 Chin. Phys. Lett.19 531 [5] Geng H Y, Wu Q, Cai L C and Jing F Q 2002 J. Appl. Phys.92 5917 Geng H Y, Wu Q, Cai L C and Jing F Q 2002 J. Appl. Phys.92 5924 [6] Trunin R F, Zhernokletov M V, Simakov G V, Gudarenko L F and Gushchina O N 1997 Shock Compression Condens. Matter ed Schmidt S C, Dandekar D P and Forbes J W (New York: Woodbury) p 83 [7] Gryaznov V K, Fortov V E and Iosilevski I L 1998 Nucl. Instrum. Methods Phys. Res. Sect. A 415 581 [8] Yang M X, Liu F S, Sun Y H and Zhang D Y 2005 Chin. J. High Press. Phys.19 348 (in Chinese) [9] Mitchell A C, Nellis W J, Moriarty J A, Heinle R A, Holmes N C, Tipton R and Repp G W 1991 J. Appl. Phys.69 2981 [10] Walsh J M, Rice M H, Mcqueen R G and Yarger F L 1957 Phys. Rev.108 196 [11] McQueen R G and Marsh S P 1960 J. Appl. Phys.31 1253 [12] Krupnikov K K, Bakanova A A, Brazhnik M I and Trunin R F 1993 Dokl. Akad. Nauk SSSR148 1302 (in Russian) [13] McQueen R G, Marsh S P, Taylor J W, Fritz J N and Carter W J 1970 The Equation of State of Solids from Shock Wave Studies (New York: Academic) [14] Bakanova A A, Dudoladov I P and Sutulov Y N 1974 Zh. Prikl. Mekh. Tekh. Fiz.2 117 (in Russian) [15] Ragan C E, Silbert M G and Diven B C 1977 J. Appl. Phys.48 2860 [16] Marsh S P (ed) 1980 LASL Shock Hugoniot Data (Berkeley: University of California Press) [17] Al'tshuler L V, Bakanova A A, Dudoladov I P, Dynin E A, Trunin R F and Chekin B S 1981 Zh. Prikl. Mekh. Tekh. Fiz.2 3 (in Russian) [18] Ragan C E 1982 Phys. Rev. A 25 3360 [19] Ragan C E 1984 Phys. Rev. A 29 1391 [20] Trunin R F, Simakov G V, Sutulov Yu N, Medvedev A B, Rogozkin B D and Fedorov Yu E 1989 Zh. Eksp. Teor. Fiz.96 1024 (in Russian) [21] Hixson R S and Fritz J N 1992 J. Appl. Phys.71 1721 [22] Trunin R F, Podurets M A, Simakov G V, Popov L V and Sevast'yanov A G 1994 Teplofiz. Vys. Temp.32 786 (in Russian) [23] Trunin R F, Panov N V and Medvedev A B 1995 Pis'ma Zh. Eksp. Teor. Fiz.62 572 (in Russian) [24] Al'tshuler L V, Krupnikov K K and Brazhnik M I 1958 Zh. Eksp. Teor. Fiz.34 886 (in Russian) [25] Al'tshuler L V, Bakanova A A and Trunin R F 1962 Zh. Eksp. Teor. Fiz.42 91 (in Russian) [26] Gudarenko L F, Gushchina O N, Zhernokletov M V, Medvedev A B and Simakovet G V 2000 Teplofiz. Vys. Temp.38 413 (in Russian) [27] Song H F and Liu H F 2007 Phys. Rev. B 75 245126 [28] Song H F, Liu H F and Tian E K 2007 J. Phys.: Condens. Matter19 456209 [29] Wang Y 2000 Phys. Rev. B 61 R11863 [30] Wang Y, Chen D and Zhang X 2000 Phys. Rev. Lett.84 322 [31] Kresse G and Hafner J 1993 Phys. Rev. B 48 13115 [32] Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169 Kresse G and Furthmüller J 1996 Comput. Mater. Sci.6 15 [33] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett.77 3865 [34] Bl?chl P E 1994 Phys. Rev. B 50 17953 [35] Kresse G and Joubert D 1999 Phys. Rev. B 59 1758 [36] Alfè D, Price G D and Gillan M J 2001 Phys. Rev. B 64 045123 [37] Wei S H and Krakauer H 1985 Phys. Rev. Lett.55 1200 [38] Vanderbilt D 1990 Phys. Rev. B 41 7892 [39] Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188 [40] Poirier J P 1991 Introduction to the Physics of the Earth's Interior (Cambridge: Cambridge University Press) chap 4
2014, Vol. 31 
