温度对超薄铜膜疲劳性能影响的分子动力学模拟

郭巧能; 曹义刚; 孙强; 刘忠侠; 贾瑜; 霍裕平

doi:10.7498/aps.62.107103

摘要

用嵌入原子势的分子动力学方法模拟了温度对超薄铜膜疲劳性能的影响. 通过模拟, 首先给出了超薄铜膜的总能及应力随循环周次的变化曲线; 根据叠加经验式得出的叠加量随循环周次变化曲线, 判断出各种恒定温度下超薄铜膜的疲劳寿命. 由 200–400 K温度范围内超薄铜膜的疲劳寿命-温度变化曲线, 可以发现存在两个温度区域: 在约370 K以下, 超薄铜膜的疲劳寿命随温度升高缓慢增加, 而在约370 K以上增加较快. 建立了模型并用位错演化机制解释了超薄铜膜疲劳寿命的温度依赖关系.

关键词:

分子动力学 /
疲劳 /
温度效应 /
位错

Abstract

The molecular dynamics simulations are performed with single-crystal copper thin films under cyclic loading to investigate temperature effects on the mechanical responses. First, the method to determine the number of cycles to failure is reported: the total energy-the number of cycles curve and the stress-the number of cycles curve for nanoscale copper film are obtained; using the two curves and an additional quantitative expression, we obtain the additional quantity-the number of cycles curve, from which fatigue life of copper film is obtained. Next, under cyclic loading, with temperature rising, the number of cycles to failure of copper films increases in different manners at different temperatures: when the temperature is above about 370 K, the number of cycles to failure goes up quickly with temperature; when below about 370 K, the number of cycles rises slowly. Finally, the mechanisms of the strange temperature dependence of cyclic deformation can be explained by our developed model based on the evolutionary features of dislocation.

Keywords:

作者及机构信息

1.
郑州大学物理工程学院, 郑州 450001

基金项目: 河南省教育厅科学技术研究重点项目(批准号: 13A140674, 12A140012) 和教育部科研基金(批准号: 20114101110001)资助的课题.

Authors and contacts

1.
School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001, China

Funds: Project supported by the Foundation of Henan Educational Committee, China (Grant Nos.13A140674, 12A140012) and the Ministry of Education of China (Grant No. 20114101110001).

参考文献

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施引文献

[1]	Nix W D, Mehl Medalist R F 1989 Metall. Trans. A 20 2217
[2]	He A M, Shao J L, Wang P, Qin C S 2010 Acta Phys. Sin. 59 8836 (in Chinese) [何安民, 邵建立, 王裴, 秦承森 2010 59 8836]
[3]	Zhang G P, Schwaiger R, Volkert C A, Kraft O 2003 Philos. Mag. Lett. 83 477
[4]	Nicola L, Giessen E V, Needleman A 2003 J. Appl. Phys. 93 5920
[5]	Nicola L, Xiang Y, Vlassak J J, van der Giessen E, Needleman A 2006 J. Mech. Phys. Solids 54 2089
[6]	Tanimoto H, Fujiwara K, Mizubayashi H 2005 Sci. Tech. Adv. Mater. 6 620
[7]	Huang H B, Spaepen F 2000 Acta Mater. 4 3261
[8]	Balk T J, Dehm G, Arzt E 2003 Acta Mater. 51 4471
[9]	Espinosa H D, Prorok B C, Peng B 2004 J. Mech. Phys. Solids 52 667
[10]	Gruber P A, Bohm J, Onuseit F, Wanner A, Spolenak R, Arzt E 2008 Acta Mater. 56 2318
[11]	Read D, Geiss R, Ramsey J, Scherban T, Xu G, Blaine J, Miner B, Emery R D 2003 Mat. Res. Soc. Symp. Proc. 778 93
[12]	Florando J N, Nix W D 2005 J. Mech. Phys. Solids 53 619
[13]	Kraft O, Wellner P, Hommel M, Schwaiger R, Arzt E 2002 Z. Metallkd. 93 392
[14]	Zhang G P, Volkert C A, Schwaiger R, Arzt E, Kraft O 2005 J. Mater. Res. 20 201
[15]	Zhang B, Sun K H, Gong J, Sun C, Wang Z G, Zhang G P 2007 Key Eng. Mater. 353-358 116
[16]	Kraft O, Schwaiger R, Wellner P 2001 Mater. Sci. Eng. A 319-321 919
[17]	Maier H J, Gabor P, Gupta N, Karaman I, Haouaoui M 2006 Int. J. Fatigue 28 243
[18]	Keller R R, Phelps J M, Read D T 1996 Mater. Sci. Eng. A 214 42
[19]	Read D T 1998 Int. J. Fatigue 20 203
[20]	Merchant H D, Minor M G, Liu Y L 1999 J. Electron. Mater. 28 998
[21]	Merchant H D, Khatibi G, Weiss B 2004 J. Mater. Sci. 39 4157
[22]	Chang W J, Fang T H 2003 J. Phys. Chem. Solids 64 1279
[23]	Zhu T, Li J, Samanta A, Leach A, Gall K 2008 Phys. Rev. Lett. 100 025502
[24]	Guo Q N, Yue X D, Yang S E, Huo Y P 2010 Comput. Mater. Sci. 50 319
[25]	Chen M W, Ma E, Hemker K J, Sheng H W, Wang Y M, Cheng X M 2003 Science 300 1275
[26]	Gruber P A, Solenthaler C, Arzt E, Spolenak R 2008 Acta Mater. 56 1876
[27]	Yang D Z 1991 Dislocations and Metal Strengthening Mechanisms (Harbin: Harbin Institute of Technology Press) (in Chinese) [杨德庄 1991 位错与金属强化机制 (哈尔滨: 哈尔滨工业大学出版社)]
[28]	Ju C C, Chen D L, Chen T C 2001 Proceedings of The 18th CSME National Conference on Mechanical Engineering Taipei, Taiwan, December 7-8, 2001 p159
[29]	Lin Z C, Huang J C 2004 Nanotechnology 15 1509
[30]	Lin Z C, Huang J C 2004 Nanotechnology 15 510
[31]	Komanduri R, Chandrasekaran N, Raff L M 2001 Int. J. Mech. Sci. 43 2237
[32]	Chen D L, Ju C C, Chen T C 2001 Proceedings of The 18th CSME National Conference on Mechanical Engineering Taipei, Taiwan, December 7-8, 2001 p1063
[33]	Chang W J, Fang T H 2003 J. Phys. Chem. Solids 64 1279
[34]	Ma X L, Yang W 2003 Nanotechnology 14 1208
[35]	Allen M P, Tildesley D J 1987 Computer Simulation of Liquids (Oxford: Oxford University Press)
[36]	Melchionna S, Ciccotti G, Holian B L 1993 Mol. Phys. 78 533
[37]	Schiotz J 2001 Phil. Mag. Lett. 81 301
[38]	Kolluri K, Gungor M R, Maroudas D 2007 Appl. Phys. Lett. 90 221907
[39]	Zhou S J, Preston D L, Lomdahl P S, Beazley D M 1998 Science 279 1525
[40]	Zhou S J, Preston D L, Louchet F 1999 Acta Mater. 47 2695
[41]	Li M, Chu W Y, Gao K W, Qiao L J 2003 J. Phys.: Condens. Matter 15 3391
[42]	Vegge T, Jacobsen W 2002 J. Phys.: Condens. Matter 14 2929
[43]	Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[44]	Schwaiger R, Kraft O 1999 Scripta Mater. 41 823
[45]	Zhang G P, Volkert C A, Schwaiger R, Wellner P, Arzt E, Kraft O 2006 Acta Mater. 54 3127
[46]	Polak J 1987 Mater. Sci. Eng. A 92 71
[47]	Essmann U, Gosele U, Mughrabi H 1981 Phil. Mag. A 44 405
[48]	Essmann U, Mughrabi H 1979 Phil. Mag. A 40 731
[49]	Simmons R O, Balluffi R W 1960 Phys. Rev. 117 52
[50]	Kwon L E, Fine M E, Weertman J 1989 Acta Metall. 37 2937

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