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采用分子动力学模拟方法, 研究了金纳米管沿不同晶向拉伸与压缩载荷下的力学性能, 并分析了金纳米管的半径对其力学行为的影响. 在模拟计算中, 采用镶嵌原子势描述金原子之间的相互作用. 模拟结果表明, 在拉伸及压缩过程中, 不同晶向的金纳米管力学性能相差较大, 在拉伸和压缩载荷下金纳米管向的屈服强度最大; 在三个晶向, , 的金纳米管中, 晶向的金纳米管其屈服强度和杨氏模量都远远小于其他晶向. 研究结果还发现, 当纳米管的半径小于3.0 nm时, 金纳米管的屈服强度没有大的变化, 而当半径大于3.0 nm后, 随着半径的增大, 其屈服强度明显降低.
[1] Liu Y L, Gui L J, Jin S 2012 Chin. Phys. B 21 096102
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[4] McFadden S X, Mishra R S, Valiev R Z, Zhilyaev A P, Mukherjee A K 1999 Nature 398 684
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[6] Wang Y M, Chen M W, Zhou F H, Ma E 2002 Nature 419 912
[7] Jia M, Lai Y Q, Tian Z L, Liu Y X 2009 Acta Phys. Sin. 58 1139 (in Chinese) [贾明, 赖延清, 田忠良, 刘业翔 2009 物理学报 58 1139]
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[20] Qin Kun, Yang L M, Hu S S 2008 Chin. Phys. Lett. 25 2581
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[22] Siegel R W 1996 Mater. Sci. Forum. 235-238 851
[23] Sanders P G, Youngdahl C J, Weertman J R 1997 Mater. Sci. Eng. A 234-236 77
[24] Koch C C, Malow T R 1999 Mater. Sci. Forum. 312-314 565
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[26] Li R, Hu Y Z, Wang H, Zhang Y J 2008 Chin. Phys. B 17 4253
[27] Song H Y, Zha X W 2009 J. Phys. D: Appl. Phys. 42 225402
[28] Song H Y, Zha X W 2009 Phys. Lett. A 373 682
[29] Yang G M, Xu G L, Li Y T, Xu F, Chang Y B, Yang Y H 2010 Mater. Rev. 24 81 (in Chinese) [杨光明, 徐国良, 李月婷, 徐凤, 常艳兵, 杨云慧2010材料导报 24 81]
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[31] Zhang J, Wang C Y, Chowdhury R, Adhikari S 2012 Appl. Phys. Lett. 101 093109
[32] Stukowski A 2010 Modelling Simul. Mater. Sci. Eng. 18 015012
[33] Faken D, Jonsson H 1994 Comput. Mater. Sci. 2 279
[34] Coura P Z, Legoas S B, Moreira A S, Sato F, Rodrigues V, Dantas S O, Ugarte D, Galvao D S 2004 Nano Lett. 4 1187
[35] Horstermeyer M F, Baskes M I 1999 J. Eng. Mater. Technol. 121 114
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[1] Liu Y L, Gui L J, Jin S 2012 Chin. Phys. B 21 096102
[2] Zhou G R, Teng X Y, Wang Y, Geng H R, Hur B Y 2012 Acta Phys. Sin. 61 066101 (in Chinese) [周国荣, 滕新营, 王艳, 耿浩然, 许甫宁 2012 物理学报 61 066101]
[3] Lu L, Chen X, Huang X, Lu K 2009 Science 323 607
[4] McFadden S X, Mishra R S, Valiev R Z, Zhilyaev A P, Mukherjee A K 1999 Nature 398 684
[5] Zhang X, Wang H, Scattergood R O, Narayan J, Koch C C, Sergueeva A V, Mukherjee A K 2002 Appl. Phys. Lett. 81 823
[6] Wang Y M, Chen M W, Zhou F H, Ma E 2002 Nature 419 912
[7] Jia M, Lai Y Q, Tian Z L, Liu Y X 2009 Acta Phys. Sin. 58 1139 (in Chinese) [贾明, 赖延清, 田忠良, 刘业翔 2009 物理学报 58 1139]
[8] Wang J M, Hu W Y, Li X F, Xiao S F, Deng H Q 2010 Comput. Mater. Sci. 50 373
[9] 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物理学报 59 8836]
[10] Wang G H, Pan H, Ke F J, Xia M F, Bai Y L 2008 Chin. Phys. B 17 259
[11] Huang D, Zhang Q, Qiao P Z 2011 Comput. Mater. Sci. 50 903
[12] Wang Z G, Wu L, Zhang Y, Wen Y H 2011 Acta Phys. Sin. 60 096105 (in Chinese) [汪志刚, 吴亮, 张杨, 文玉华2011 物理学报 60 096105]
[13] Pastor-Abia L, Caturla M J, SanFabian E, Chiappe G, Louis E 2011 Phys. Rev. B 83 165441
[14] An M R, Song H Y, Su J F 2012 Chin. Phys. B 21 106202
[15] Song H Y, Li Y L 2012 Acta Phys. Sin. 61 226201 (in Chinese) [宋海洋, 李玉龙 2012 物理学报 61 226201]
[16] Song H Y, Li Y L 2012 J. Appl. Phys. 112 054322
[17] Ao B Y, Xia J X, Chen P H, Hu W Y, Wang X L 2012 Chin. Phys. B 21 026103
[18] Liu Y H, Gao Y J, Wang F Y, Zhu T M, Zhao J W 2011 Acta Phys. Chim. Sin. 27 1341 (in Chinese) [刘云红, 高亚军, 王奋英, 朱铁民, 赵健伟 2011 物理化学学报 27 1341]
[19] Gleiter H 1995 Nanostruct. Mater. 6 3
[20] Qin Kun, Yang L M, Hu S S 2008 Chin. Phys. Lett. 25 2581
[21] Deng C, Sansoz F 2010 Phys. Rev. B 81 155430
[22] Siegel R W 1996 Mater. Sci. Forum. 235-238 851
[23] Sanders P G, Youngdahl C J, Weertman J R 1997 Mater. Sci. Eng. A 234-236 77
[24] Koch C C, Malow T R 1999 Mater. Sci. Forum. 312-314 565
[25] Honeycutt R W 1970 Methods Comput. Phys. 9 136
[26] Li R, Hu Y Z, Wang H, Zhang Y J 2008 Chin. Phys. B 17 4253
[27] Song H Y, Zha X W 2009 J. Phys. D: Appl. Phys. 42 225402
[28] Song H Y, Zha X W 2009 Phys. Lett. A 373 682
[29] Yang G M, Xu G L, Li Y T, Xu F, Chang Y B, Yang Y H 2010 Mater. Rev. 24 81 (in Chinese) [杨光明, 徐国良, 李月婷, 徐凤, 常艳兵, 杨云慧2010材料导报 24 81]
[30] Yang J H, Li B, Zhang Q J, Chen L 2012 Phys. Lett. A 376 2707
[31] Zhang J, Wang C Y, Chowdhury R, Adhikari S 2012 Appl. Phys. Lett. 101 093109
[32] Stukowski A 2010 Modelling Simul. Mater. Sci. Eng. 18 015012
[33] Faken D, Jonsson H 1994 Comput. Mater. Sci. 2 279
[34] Coura P Z, Legoas S B, Moreira A S, Sato F, Rodrigues V, Dantas S O, Ugarte D, Galvao D S 2004 Nano Lett. 4 1187
[35] Horstermeyer M F, Baskes M I 1999 J. Eng. Mater. Technol. 121 114
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