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The solidification process of liquid metal potassium is simulated by using the molecular dynamics method. According to the evolution properties of average atomic energy in system, bonding type and clustering type among atoms, and the dynamic parameters of mean-square displacement and non-Gaussian parameter, the dynamic mechanisms in initial nucleation of supercooled liquid potassium are deeply studied. It is found that the supercooled liquid region can be divided into two different stages according to the evolutions of thermodynamic, dynamic and structural properties of supercooled liquid. And the potential crystallization nuclei appear in the lower temperature region of supercooled liquid. It is also found that the potential crystallization nuclei are formed with the disaggregations of icosahedron clusters during the -relaxation regime, and the critical size of nucleus is about 300 atoms.
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Keywords:
- supercooled liquid /
- nucleation mechanism /
- molecular dynamics simulation /
- atomic cluster
[1] Kelton K F 1991 Solid State Physics (New York: Academic) pp75-178
[2] Gasser U, Weeks E R, Schofield A, Pusey P N, Weitz D A 2001Science 292 258
[3] Egami T 2007 J. Non-Cryst. Solids 353 3666
[4] Kelton K F, Gangopadhyay A K, Kim T H, Lee G W 2006 J. Non-Cryst. Solids 352 5318
[5] Frank F C 1952 Proc. R. Soc. London A 215 43
[6] Yu D Q, Chen M, Yang H, Lü Y J 2009 Phil. Mag. Lett. 89 44
[7] Yu D Q, Chen M, Han X J 2005 Phys. Rev. E 72 051202
[8] Chen K Y, Liu H B, Li X P, Han Q Y, Hu Z Q 1995 J. Phys.:Condens. Matter 7 2379
[9] Wang L, Li H, Bian X F, Sun M H, Liu X F, Liu H B, Chen K Y2000 Acta Phys. Sin. 49 45 (in Chinese) [王丽, 李辉, 边秀房, 孙民华, 刘相法,刘洪波, 陈魁英 2000 49 45]
[10] Wang H L, Wang X X, Wang Y, Liang H Y 2007 Acta Phys. Sin.56 1489 (in Chinese)[王海龙, 王秀喜, 王宇, 梁海弋 2007 56 1489]
[11] Pang H, Jin Z H, Lu K 2003 Phys. Rev. B 67 094113
[12] Liu J, Zhao J Z, Hu Z Q 2006 Appl. Phys. Lett. 89 031903
[13] Wang L, Peng C, Wang Y, Zhang Y 2006 Phys. Lett. A 350 69
[14] Lai S K, Chen H C 1995 J. Phys.: Condens. Matter 7 1499
[15] González D J, González L E, López J M, Stott M J 2004 Phys.Rev. B 69 031205
[16] Haberland H, Hippler T, Donges J, Kostko O, Schmidt M, vonIssendorff B 2005 Phys. Rev. Lett. 94 035701
[17] Hou Z Y, Liu R S, Liu H R, Tian Z A, Wang X, Zhou Q Y, ChenZ H 2007 J. Chem. Phys. 127 174503
[18] Hou Z Y, Liu L X, Liu R S 2009 Acta Phys. Sin. 58 4817 (inChinese) [侯兆阳, 刘丽霞, 刘让苏 2009 58 4817]
[19] Hou Z Y, Liu L X, Liu R S, Tian Z A, Wang J G 2010 J. Appl.Phys. 107 083511
[20] Wang S, Lai S K 1980 J. Phys. F 10 2717
[21] Li D H, Li X R, Wang S 1986 J. Phys. F 16 309
[22] Jin Z H, Lu K, Gong Y D, Hu Z Q 1997 J. Chem. Phys. 106 8830
[23] Hoover W G, Ladd A J C, Moran B 1982 Phys. Rev. Lett. 481818
[24] Evans D J 1983 J. Chem. Phys. 78 3297
[25] Waseda Y 1980 The Structure of Non-Crystalline Materials (NewYork: McGraw-Hill)
[26] Shimoji M (Translated by Guo G Q) 1987 Liquid Metal (Beijing:Science Press) p219 (in Chinese) [下地光雄 著, 郭淦钦 译 1987 液态金属 (北京:科学出版社) 第219页]
[27] Honeycut J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[28] Kob W 1999 J. Phys.: Condens. Matter 11 R85
[29] Kon W, Andersen H C 1994 Phys. Rev. Lett. 73 1376
[30] Qi D W, Wang S 1991 Phys. Rev. B 44 884
[31] Nelson D R 1983 Phys. Rev. B 28 5515
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[1] Kelton K F 1991 Solid State Physics (New York: Academic) pp75-178
[2] Gasser U, Weeks E R, Schofield A, Pusey P N, Weitz D A 2001Science 292 258
[3] Egami T 2007 J. Non-Cryst. Solids 353 3666
[4] Kelton K F, Gangopadhyay A K, Kim T H, Lee G W 2006 J. Non-Cryst. Solids 352 5318
[5] Frank F C 1952 Proc. R. Soc. London A 215 43
[6] Yu D Q, Chen M, Yang H, Lü Y J 2009 Phil. Mag. Lett. 89 44
[7] Yu D Q, Chen M, Han X J 2005 Phys. Rev. E 72 051202
[8] Chen K Y, Liu H B, Li X P, Han Q Y, Hu Z Q 1995 J. Phys.:Condens. Matter 7 2379
[9] Wang L, Li H, Bian X F, Sun M H, Liu X F, Liu H B, Chen K Y2000 Acta Phys. Sin. 49 45 (in Chinese) [王丽, 李辉, 边秀房, 孙民华, 刘相法,刘洪波, 陈魁英 2000 49 45]
[10] Wang H L, Wang X X, Wang Y, Liang H Y 2007 Acta Phys. Sin.56 1489 (in Chinese)[王海龙, 王秀喜, 王宇, 梁海弋 2007 56 1489]
[11] Pang H, Jin Z H, Lu K 2003 Phys. Rev. B 67 094113
[12] Liu J, Zhao J Z, Hu Z Q 2006 Appl. Phys. Lett. 89 031903
[13] Wang L, Peng C, Wang Y, Zhang Y 2006 Phys. Lett. A 350 69
[14] Lai S K, Chen H C 1995 J. Phys.: Condens. Matter 7 1499
[15] González D J, González L E, López J M, Stott M J 2004 Phys.Rev. B 69 031205
[16] Haberland H, Hippler T, Donges J, Kostko O, Schmidt M, vonIssendorff B 2005 Phys. Rev. Lett. 94 035701
[17] Hou Z Y, Liu R S, Liu H R, Tian Z A, Wang X, Zhou Q Y, ChenZ H 2007 J. Chem. Phys. 127 174503
[18] Hou Z Y, Liu L X, Liu R S 2009 Acta Phys. Sin. 58 4817 (inChinese) [侯兆阳, 刘丽霞, 刘让苏 2009 58 4817]
[19] Hou Z Y, Liu L X, Liu R S, Tian Z A, Wang J G 2010 J. Appl.Phys. 107 083511
[20] Wang S, Lai S K 1980 J. Phys. F 10 2717
[21] Li D H, Li X R, Wang S 1986 J. Phys. F 16 309
[22] Jin Z H, Lu K, Gong Y D, Hu Z Q 1997 J. Chem. Phys. 106 8830
[23] Hoover W G, Ladd A J C, Moran B 1982 Phys. Rev. Lett. 481818
[24] Evans D J 1983 J. Chem. Phys. 78 3297
[25] Waseda Y 1980 The Structure of Non-Crystalline Materials (NewYork: McGraw-Hill)
[26] Shimoji M (Translated by Guo G Q) 1987 Liquid Metal (Beijing:Science Press) p219 (in Chinese) [下地光雄 著, 郭淦钦 译 1987 液态金属 (北京:科学出版社) 第219页]
[27] Honeycut J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[28] Kob W 1999 J. Phys.: Condens. Matter 11 R85
[29] Kon W, Andersen H C 1994 Phys. Rev. Lett. 73 1376
[30] Qi D W, Wang S 1991 Phys. Rev. B 44 884
[31] Nelson D R 1983 Phys. Rev. B 28 5515
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