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A simulation study has been performed for the rapid solidification process of liquid Mg7Zn3 alloy by using molecular dynamics method. The pair distribution function g(r) curves, the bond-type index method of Honeycutt-Andersen (H-A), the cluster-type index method and the genetic tracking method have been used to analyze the formation and evolution properties of cluster structures during the solidification process. The results show that the bonding probability between Zn-Zn atoms is increased obviously during the solidification process at cooling rate of 1×1012 K ·s-1. The amorphous structures are formed mainly with the 1551, 1541 and 1431 bond-types, and the turning point of the relation curve of the characteristic 1551 bond-type with temperature is corresponding to the glass transition temperature Tg, thus it maybe become a new method to determine Tg. The basic cluster (12 0 12 0) consisting of 1551 bond-type plays a key role in forming amorphous structure, and becomes the main body of the large clusters which are formed by the combination of some middle and small clusters with distinctly different sizes, through mutual competition by unceasing annex and evolution in a seesaw manner (in turn of obtaining and losing).
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Keywords:
- Liquid Mg7Zn3 alloy /
- rapid solidification process /
- microstructure evolution /
- molecular dynamics simulation
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[1] Jha N, Mishrab A K 2001 J. Alloys Compd. 329 224
[2] Zhou H Y,Liu T M,Wang J X 2006 J. Chongqing Uni. 29(12) 68 [周鸿翼、刘天模、王金星 2006 重庆大学学报 29(12) 68]
[3] Gao X, Nie J F 2007 Scripta Materialia 57 655
[4] Gao J C, Wu S, Qiao L Y, Wang Y 2008 Trans. Nonfcrrous Met. Soc. China 18 588
[5] Somekawa H, Singh A, Mukai T 2009 Scripta Materialia 60 411
[6] Hafner J, Krajci M 1993 Phys. Rev. B 47 11795
[7] Such J B, Rudin H, Guntherodt H J, Beck H 1984 J. Non-Cryst. Solids 61-62 295
[8] Ito M, Iwasaki H, Shiotan N 1984 J. Non-Cryst. Solids 61-62 303
[9] Jin Z H, Lu K, Gong Y D, Hu Z Q 1997 J. Chem. Phys. 106 8830
[10] Liu R S, Qin S P, Hou Z Y, Chen X Y, Liu F X 2004 Acta. Phys. Sin. 53 3119(in Chinese)[刘让苏、覃树萍、侯兆阳、陈 晓莹、刘凤翔 2004 53 3119] 〖11] Zhou L L, Liu R S, Hou Z Y, Tian Z A, Lin Y, Liu Q H 2008 Acta. Phys. Sin. 57 3653(in Chinese) [周丽丽、刘让苏、侯兆阳、田泽安、林 艳、刘全慧 2008 57 3653]
[11] Zhang H T, Liu R S, Hou Z Y, Zhang A L, Chen X Y, Du H S 2006 Acta. Phys. Sin. 55 2409(in Chinese)[张海涛、刘让苏、侯兆阳、张爱龙、陈晓莹、杜生海 2006 55 2409]
[12] Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[13] Tian Z A, Liu R S, Liu H R, Zheng C X, Hou Z Y, Peng P 2008 J. Non-Cryst. Solids 354 3705
[14] Dong K J, Liu R S, Yu A B, Zou R P, Li J Y 2003 J. Phys: Condens. Matter 15 743
[15] Liu R S,Liu F X,Dong K J, Zheng C X, Liu H R, Peng P, Li J Y 2006 Sci. China E 49 172
[16] Liu R S, Dong K J, Tian Z A, Liu H R, Peng P, Yu A B 2007 J. Phys: Condens. Matter 19 196103
[17] Wang S, Lai S K 1980 J. Phys. F 10 2717
[18] Li D H, Li X R, Wang S 1986 J.Phys. F 16 309
[19] Rudin H, Jost S, Guntherodt H J 1984 J. Non-Cryst. Solids 61-62 291
[20] Hou Z Y, Liu L X, Liu R S, Tian Z A 2009 Acta. Phys. Sin. 58 4817(in Chinese)[侯兆阳、刘丽霞、刘让苏、田泽安 2009 58 4817]
[21] Gao T H, Liu R S, Zhou L L, Tian Z A, Xue Q 2009 Acta Phys. -Chim. Sin. 25 2093(in Chinese)[高廷红、刘让苏、周 丽丽、田泽安、谢泉2009 物理化学学报25 2093] 〖23] Li D H, Moore R A, Wang S 1988 J. Chem. Phys. 88 2700
[22] Tanaka M J 1983 Phys. Soc. Jpn. 52 1270
[23] Wendt H R, Abraham F F 1978 Phys. Rev. Lett. 41 1244
[24] Liu R S, Zhou Q Y, Li J Y 1995 J. At. Mol. Phys. 12 16(in Chinese)[刘让苏、周群益、李基永1995 原子与分子 ,12 16]
[25] Yi X H, Liu R S, Tian Z A, Hou Z Y, Li X Y, Zhou Q Y 2008 Trans. Nonferrous Met. Soc. China 18 33
[26] Qi D W, Wang S 1991 Phys. Rev. B 44 884
[27] Zhang J X, Li H, Zhang J, Song X G, Bian X F 2009 Chin. Phys. B 18 4949.
[28] Zhao S, Li J F, Liu L, Zhou Y He 2009 Chin. Phys. B 18 1917
[29] Geng H R, Sun C J, Yang Z X, Wang R, Ji L L 2006 Acta. Phys. Sin. 55 1320(in Chinese)[耿浩然、孙春静、杨中喜、王 瑞、吉蕾蕾 2006 55 1320]
[30] Li H, Bian X F, Wang G H 2003 Phys. Rev. B 67 094202
[31] Liu H R, Liu R S, Zhang A L,Hou Z Y, Wang X, Tian Z A 2007 Chin. Phys. 16 3747
[32] Liu R S, Li J Y, Zhou Z, Peng P, Xie Q, Zheng C X 1998 Trans. Nonferrous Met. Soc. China 8 533
[33] Liu R S, Li J Y, Zhou Q Y 1995 Chin. Sci. Bull. 40 1729
[34] Honeycutt J D, Anderson H C 1986 J. Phys. Chem. 90 1585
[35] Martin T P, Naher U, Schaber H 1992 Chem. Phys. Lett. 199 470
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