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Ab-initio calculation method is employed to determine the potential functions and the unknown parameters in pair-potential-based mean filed model for metals. Using the mean fields constructed from the potential functions, the vibration free volumes of atoms of metals Al, Cu, Ni, Na, and K at melting points are evaluated. The results indicate that the widely used hypothesis that the ratio of vibration free volume to the primitive cell volume of atoms in melting curve is a constant, is not correct. We provide a ratio model which can be usd to obtain much more accurate results of melting curve.
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Keywords:
- high-pressure melting /
- free volume theory
[1] Errandonea D, Somayazulu M, Hausermann D, Mao H K 2003 J. Phys.: Condens Matter 15 7635
[2] Dewaele A, Mezouar M, Guignot N, Loubeyre P 2010 Phys. Rev. Lett. 104 255701
[3] Dai C D, Hu J B, Tan H 2009 J. Appl. Phys. 106 043519
[4] Partouche S D, Pelissier J L, Abeyta F G 2005 J. Appl. Phys. 97 2178
[5] Ross M, Boehler R, Japel S 2006 J. Phys. Chem. Solids 67 2178
[6] Alfè D 2009 Phys. Rev. B 79 060101
[7] Bouchet J, Bottin F, Jomard G, Zérah G 2009 Phys. Rev. B 80 094102
[8] Vocadlo L, Alfè D 2002 Phys. Rev. B 65 214105
[9] Wang Y, Ahuja R, Johansson B 2001 Phys. Rev. B 65 014104
[10] Ji G F, Zhang Y L, Cui H L, Li X F, Zhao F, Meng C M, Song Z F 2009 Acta Phys. Sin. 58 4103 (in Chinese) [姬广富, 张艳丽, 崔红玲, 李晓凤, 赵峰, 孟川民, 宋振飞 2009 物理学报 58 4103]
[11] Cazorla C, Gillan M J 2007 J. Chem. Phys. 126 194502
[12] Lindemann F A 1910 Phys. Z. 11 609
[13] Ross M 1969 Phys. Rev. 184 233
[14] Burakovsky L, Preston D L, Silbar R R 2000 Phys. Rev. B 61 15011
[15] Chen D Q, Li M S, Cai L C 2001 Chin. J. High Pressure Phys. 15 81 (in Chinese) [陈栋泉, 李茂生, 蔡灵仓 2001 高压物理学报 15 81]
[16] Martin C J, O’Connor D A 1977 Solid State Phys. 10 3521
[17] Luo S N, Strachan A, Swift D C 2005 J. Chem. Phys. 122 194709
[18] Xiang S K, Cai L C, Jing F Q, Wang S J 2005 Phys. Rev. B 72 184102
[19] Xiang S K, Cai L C, Jing F Q, Wang S J 2004 Phys. Rev. B 70 174102
[20] Xiang S K, Cai L C, Jing F Q, Wang S J 2005 Chin. Phys. Lett. 22 424
[21] Rose J H, Smith J R, Guinea F, Ferrante J 1984 Phys. Rev. B 29 2963
[22] Birch F 1978 J. Geophys. Res. 83 1257
[23] Dugdal J S, MacDonald D K C 1953 Phys. Rev. 89 832
[24] Kresse G, Furthmüller J 1996 Phys. Rev. B 54 11169
[25] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[26] Blöchl P E 1994 Phys. Rev. B 50 17953
[27] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[28] Hänström A, Lazor P 2000 J. Alloy. Compd. 305 209
[29] Boehler R, Ross M 1997 Earth Planet Sci. Lett. 153 223
[30] Mirward P W, Kennedy G C 1979 J. Geophys. Res. 84 6750
[31] Belonoshko A B, Ahuja R, Eriksson O 2000 Phys. Rev. B 61 3838
[32] Zhang L Y, Dai C D, Xu C H, Tan H 2005 Chin. J. High Pressure Phys. 19 365 (in Chinese) [张凌云, 戴诚达, 许灿华, 谭华 2005 高压物理学报 19 365]
[33] Lazor P 1994 Ph. D. Dissertation (Uppsala: Uppsala University)
[34] Zha C S, Boehler R 1985 Phys. Rev. B 31 3199
[35] Gregoryanz E, Degtyareva O, Somayazulu M, Hemley R J, Mao H K 2005 Phys. Rev. Lett. 94 185502
[36] Japel S, Schwager B, Boehler R, Ross M 2005 Phys. Rev. Lett. 95 167801
[37] Wang Z W, Lazor P, Saxena S K 2001 Physica B 293 408
[38] Kechin V V 2001 Phys. Rev. B 65 052102
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[1] Errandonea D, Somayazulu M, Hausermann D, Mao H K 2003 J. Phys.: Condens Matter 15 7635
[2] Dewaele A, Mezouar M, Guignot N, Loubeyre P 2010 Phys. Rev. Lett. 104 255701
[3] Dai C D, Hu J B, Tan H 2009 J. Appl. Phys. 106 043519
[4] Partouche S D, Pelissier J L, Abeyta F G 2005 J. Appl. Phys. 97 2178
[5] Ross M, Boehler R, Japel S 2006 J. Phys. Chem. Solids 67 2178
[6] Alfè D 2009 Phys. Rev. B 79 060101
[7] Bouchet J, Bottin F, Jomard G, Zérah G 2009 Phys. Rev. B 80 094102
[8] Vocadlo L, Alfè D 2002 Phys. Rev. B 65 214105
[9] Wang Y, Ahuja R, Johansson B 2001 Phys. Rev. B 65 014104
[10] Ji G F, Zhang Y L, Cui H L, Li X F, Zhao F, Meng C M, Song Z F 2009 Acta Phys. Sin. 58 4103 (in Chinese) [姬广富, 张艳丽, 崔红玲, 李晓凤, 赵峰, 孟川民, 宋振飞 2009 物理学报 58 4103]
[11] Cazorla C, Gillan M J 2007 J. Chem. Phys. 126 194502
[12] Lindemann F A 1910 Phys. Z. 11 609
[13] Ross M 1969 Phys. Rev. 184 233
[14] Burakovsky L, Preston D L, Silbar R R 2000 Phys. Rev. B 61 15011
[15] Chen D Q, Li M S, Cai L C 2001 Chin. J. High Pressure Phys. 15 81 (in Chinese) [陈栋泉, 李茂生, 蔡灵仓 2001 高压物理学报 15 81]
[16] Martin C J, O’Connor D A 1977 Solid State Phys. 10 3521
[17] Luo S N, Strachan A, Swift D C 2005 J. Chem. Phys. 122 194709
[18] Xiang S K, Cai L C, Jing F Q, Wang S J 2005 Phys. Rev. B 72 184102
[19] Xiang S K, Cai L C, Jing F Q, Wang S J 2004 Phys. Rev. B 70 174102
[20] Xiang S K, Cai L C, Jing F Q, Wang S J 2005 Chin. Phys. Lett. 22 424
[21] Rose J H, Smith J R, Guinea F, Ferrante J 1984 Phys. Rev. B 29 2963
[22] Birch F 1978 J. Geophys. Res. 83 1257
[23] Dugdal J S, MacDonald D K C 1953 Phys. Rev. 89 832
[24] Kresse G, Furthmüller J 1996 Phys. Rev. B 54 11169
[25] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[26] Blöchl P E 1994 Phys. Rev. B 50 17953
[27] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[28] Hänström A, Lazor P 2000 J. Alloy. Compd. 305 209
[29] Boehler R, Ross M 1997 Earth Planet Sci. Lett. 153 223
[30] Mirward P W, Kennedy G C 1979 J. Geophys. Res. 84 6750
[31] Belonoshko A B, Ahuja R, Eriksson O 2000 Phys. Rev. B 61 3838
[32] Zhang L Y, Dai C D, Xu C H, Tan H 2005 Chin. J. High Pressure Phys. 19 365 (in Chinese) [张凌云, 戴诚达, 许灿华, 谭华 2005 高压物理学报 19 365]
[33] Lazor P 1994 Ph. D. Dissertation (Uppsala: Uppsala University)
[34] Zha C S, Boehler R 1985 Phys. Rev. B 31 3199
[35] Gregoryanz E, Degtyareva O, Somayazulu M, Hemley R J, Mao H K 2005 Phys. Rev. Lett. 94 185502
[36] Japel S, Schwager B, Boehler R, Ross M 2005 Phys. Rev. Lett. 95 167801
[37] Wang Z W, Lazor P, Saxena S K 2001 Physica B 293 408
[38] Kechin V V 2001 Phys. Rev. B 65 052102
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