Simulation study on thermodynamic, dynamic and structural transition mechanisms during the formation of Ca70Mg30 metallic glass

Xu Chun-Long; Hou Zhao-Yang; Liu Rang-Su

doi:10.7498/aps.61.136401

Abstract

The rapid quenching process of Ca70Mg30 alloy is simulated by using the molecular dynamics method. During the liquid-glass transition process, the thermodynamic, dynamic and structural transition mechanisms are investigated deeply, and the relations between glass transition temperatures determined by different methods are discussed. It is found that both the simulated structural factor of Ca70Mg30 metallic glass and glass transition temperature are consistent with the experimental results, and the icosahedral local configuration plays a critical role in the formation of Ca70Mg30 metallic glass. The dynamic property of supercooled liquid gradually deviates from the Arrhenius law and satisfies the MCT power law due to the cage effect formed by neighbor atoms. It is also found that the structural glass transition temperature is close to the dynamic one, and they are higher than the calorimetric glass transition temperature. The relationship between them and the ideal dynamic glass transition temperature satisfies the Odagaki relation.

Keywords:

Authors and contacts

1.
Department of Applied Physics, Chang'an University, Xi'an 710064, China;
2.
School of Physics and Microelectronics Science, Hunan University, Changsha 410082, China
Funds: Project supported by the National Natural Foundation of China (Grant No. 51101022) the Fundamental Research Funds for the Central Universities of Ministry of Education of China (Grant Nos. CHD2010JC083, CHD2012JC096).

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Cited By

[1]	Klement W, Willens R H, Duwez P 1960 Nature 187 869
[2]	Wang W H, Dong C, Shek C H 2004 Mater. Sci. Eng. R 44 45
[3]
[4]
[5]	Inoue A, Takeuchi A 2011 Acta Mater. 59 2243
[6]
[7]	Dai L H, Jiang M Q 2007 Adv. Mech. 37 346 (in Chinese) [戴兰宏, 蒋敏强 2007 力学进展 37 346]
[8]
[9]	Anderson P W 1995 Science 267 1615
[10]	Wendt H R, Abraham F F 1978 Phys. Rev. Lett. 41 1244
[11]
[12]	Li D H, Moore, R A, Wang S 1988 J. Chem. Phys. 88 2700
[13]
[14]
[15]	Qi Y, hin T, Kimura Y, Goddard III W A 1999 Phys. Rev. B 59 05205
[16]
[17]	Zhang Y N, Wang L, Wang W M 2007 J. Phys.: Condens. Matter 19 196106
[18]	Li X P, Han Q Y, Liu H B, Chen K Y, Hu Z Q 1995 Acta Metal. Sin. 31 A356 (in Chinese) [李小平, 韩其勇, 刘洪波, 陈魁英, 胡状麒 1995 金属学报 31 A356]
[19]
[20]
[21]	Zhou G R, Gao Q M 2007 Acta Phys. Sin. 56 1499 (in Chinese) [周国荣, 高秋明 2007 56 1499]
[22]
[23]	Dzugutov M, Simdyankin S I, Zetterling F H M 2002 Phys. Rev. Lett. 89 195701
[24]
[25]	Liang Y C, Liu R S, Liu R S, Zhou L L, Tian Z A, Liu Q H 2010 Acta Phys. Sin. 59 7930 (in Chinese) [梁永超, 刘让苏, 朱轩民, 周丽丽, 田泽安, 刘全慧 2010 59 7930]
[26]
[27]	Sun Y L, Shen J, Valladares A A 2009 J. Non-Cryst. Solids 106 073520
[28]
[29]	Gtze W, Sjgren L 1992 Rep. Prog. Phys. 55 241
[30]	Suck J B, Rudin H, Gntherodt H J, Beck H 1981 J. Phys. C: Solid State Phys. 14 2305
[31]
[32]	Hafner J 1983 Phys. Rev. B 27 678
[33]
[34]
[35]	Chen K Y, Li Q C 1993 Acta Phys. Sin. 42 1491 (in Chinese) [陈魁英, 李庆春 1993 42 1491]
[36]	Qi D W, Wang S 1991 Phys. Rev. B 44 884
[37]
[38]	Hou Z Y, Liu L X, Liu R S, Tian Z A, Wang J G 2010 J. Appl. Phys. 107 083511
[39]
[40]
[41]	Hou Z Y, Liu R S, Liu H R, Tian Z A, Wang X, Zhou Q Y, Chen Z H 2007 J. Chem. Phys. 127 174503
[42]	Hou Z Y, Liu L X, Liu R S 2009 Acta Phys. Sin. 58 4817 (in Chinese) [侯兆阳, 刘丽霞, 刘让苏 2009 58 4817]
[43]
[44]
[45]	Wang S, Lai S K 1980 J. Phys. F 10 2717
[46]
[47]	Li D H, Li X R, Wang S 1986 J. Phys. F 16 309
[48]
[49]	Jin Z H, Lu K, Gong Y D, Hu Z Q 1997 J. Chem. Phys. 106 8830
[50]	Hoover W G, Ladd A J C and Moran B 1982 Phys. Rev. Lett. 48 1818
[51]
[52]
[53]	Evans D J 1983 J. Chem. Phys. 78 3297
[54]
[55]	Nassif E, Lamparter P, Steev S 1983 Z. Naturfors. Sect. A 38 1206
[56]
[57]	Vollmayr K, Kob W, Binder K 1996 Phys. Rev. B 54 15808
[58]
[59]	Honeycut J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[60]
[61]	Vogel H 1921 Phys. Z 22 645
[62]
[63]	Fulcher G S 1925 J. Am. Ceram. Soc. 8 339
[64]
[65]	Tammann G, Hesse G 1926 Z. Anorg. Allg. Chem. 156 245
[66]	Faupel F, Frank W, Macht M P, Mehrer H, Naundorf V, Rtzke K, Schober H R, Sharma S K, Teichler H 2003 Rev. Mod. Phys. 75 237
[67]
[68]	Kob W 1999 J. Phys.: Condens. Matter 11 R85
[69]
[70]	Han X J, Teichler H 2007 Phys. Rev. E 75 061501
[71]
[72]
[73]	Odagaki T 1995 Phys. Rev. Lett. 75 3701
[74]	Hiwatari Y, Miyagawa H, Odagaki T 1991 Solid State Ionics 47 179
[75]

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Vol. 61, Issue 13 - 2012-07-05

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