球形压头与单晶铝材料纳米接触过程的多尺度分析

杨晓京; 方聪聪

doi:10.7498/aps.62.180702

摘要

采用准连续介质多尺度理论及排斥力场函数, 建立了刚性球形压头与单晶铝材料表面纳米接触与脱离过程的跨尺度分析模型, 得到载荷-位移响应曲线、原子变化状态图及位移云纹图. 研究了接触与脱离过程中单晶铝材料微观变形时原子的排列情况以及压头形状对位错的形核和发射产生的影响. 从微观角度分析了接触变形机理. 结果表明, 随着接触深度的增加, 球形压头下部两侧的原子受力方向不断变化, 使得载荷-位移响应曲线出现不同于方形压头的阶梯状. 由于压头形状的影响, 压头两侧的密排原子面实现部分滑移形成了肖克利不完全位错. 脱离过程中, 原子紧贴压头向上移动, 实现部分弹性恢复, 残余位移为0.3 nm, 非常接近单晶铝单位位错的伯格斯矢量的模0.285 nm.

关键词:

Abstract

Based on the quasicontinuum method and repulsive force-field approach, a muti-scale modeling of nano-contact process between rigid spherical indenter and surface of single crystal aluminium is established. The corresponding load-depth, graph of atomic state, and moire pattern of displacement are obtained, from which the arrangement of atoms and the effects of the shape of indenter on the nucleation and emission of dislocations in the contact process are studied. Therefore micro-mechanisms of deformation are analyzed. The result shows that due to the fact that the direction of force on atoms that contact the indenter is constantly changing with the increase of contact depth, the corresponding load-depth shows that step increases which is different from that of the square indenter with the response of the underlying crystal. Due to the indenter geometry, the close packed planes under both sides of indenter slip partially lead to Shockley partial dislocations. In the process of disengagement, the elastic recovery is accomplished as the atoms move up with indenter. The residual depth is 0.3 nm, which is close to the magnitude of the Burgers vector, 0.285 nm.

Keywords:

作者及机构信息

杨晓京¹,
方聪聪²

1.
昆明理工大学机电工程学院, 昆明 650500;

2.
昆明理工大学现代农业工程学院, 昆明 650500

基金项目: 国家自然科学基金(批准号:11062003)资助的课题.

Authors and contacts

1.
Faculty of Mechanical and Electrical Engineering, Kunming University of Science and Technology, Kunming 650500, China;

2.
Faculty of Modern Agricultural Engineering, Kunming University of Science and Technology, Kunming 650500, China

Funds: Project supported by the National Science Fund for the National Natural Science Foundation of China (Grant No. 11062003).

参考文献

[1]	Zhou Z R, Lei Y Z, Zhang C W 2006 Frontier Development of Tribology (Beijing: Science Press) p4 (in Chinese) [周仲荣, 雷源忠, 张嗣伟 2006 摩擦学发展前沿 (北京: 科学出版社) 第4页]
[2]	Leng Y S, Hu Y Z, Zheng L Q 1999 J. Tribol.-T. ASME 121 128
[3]	Xiao X D, Qian L M 2000 Langmuir 16 8153
[4]	Liu W K, Karpov E G, Zhan G S, Park H S 2004 Comput. Method Appl. M. 193 1529
[5]	Karpov E G, Yu H, Park H S, Kam L W, Jane W Q, Qian D 2006 Int. J. Solids Struct. 43 6359
[6]	Shillkrot L E, Miller R E, Curtin W A 2002 J. Mech. Phys. Solids 50 2085
[7]	Luan B Q, Hyun S, Molinari J F, Bernstein N, Robbins M O 2006 Phys. Rev. E 74 046710
[8]	Liu W K, Park H S 2006 Handbook of Theorectical and Computational Nanotechnology (Stevenson Ranch: American Scientific Publishers)
[9]	Liu W K, Park H S, Qian D, Eduard G, Kadowaki H, Wagner G J 2006 Comput. Method Appl. M. 195 1407
[10]	Miller R E, Tadmor E B 2002 J. Computer-Aided Mater. Des. 9 203
[11]	Tadmor E B, Miller R E 2005 Handbook of Materials Modeling (Dordrecht: Kluwer Academic Publishers)
[12]	Sauer R A, Li S 2007 Finite Elem. Anal. Des. 43 384
[13]	Sauer R A, Li S 2007 Int. J. Numer. Meth. Eng. 71 931
[14]	Li J W, Ni Y S, Lin Y H 2009 Acta Metall. Sin. 45 129 (in Chinese) [黎军顽, 倪玉山, 林逸汉 2009 金属学报 45 129]
[15]	Qin Z D, Wang H T, Ni Y S 2007 Chin. Quart. Mech. 28 46 (in Chinese) [秦昭栋, 王华滔, 倪玉山 2007 力学季刊 28 46]
[16]	Wang H T, Qin Z D, Ni Y S, Zhang W 2009 Acta Phys. Sin. 58 1057 (in Chinese) [王华滔, 秦昭栋, 倪玉山, 张文 2009 58 1057]
[17]	Miller R E, Rodney D 2008 J. Mech. Phys. Solids 56 1203
[18]	Mei J F, Li J W, Ni Y S, Wang H T 2010 Nanoscale Res. Lett. 5 692
[19]	Tadmor E B, Ortiz M, Philips R 1996 Philos. Mag. A 73 1529
[20]	Tadmor E B, 1996 Ph. D. Dissertation (Providence: Brown University)
[21]	Tadmor E B, Miller R E, Philips R, Ortiz M 1999 Mater. Res. 14 2233
[22]	Tadmor E B, Miller R E 2011 Modeling Materials Continuum, Atomistic and Multiscale Techniques (London: Cambridge University Press) p610
[23]	Shenoy V B, Miller R E, Tadmor E B, Rodney D, Phillips R, Ortiz M 1999 Mech. Phys. Solids 47 611
[24]	Erolessi F, Adams J B 1994 Europhys. Lett. 28 583
[25]	Li J W 2010 Ph. D. Dissertation (Shanghai: Fuda University) [黎军顽 2010 博士学位论文 (上海: 复旦大学)]
[26]	Kelchner Cynthia L, Plimpton S J, Hamilton J C 1998 Phys. Rev. B 58 11085
[27]	Michalske T A, Houston J E 1998 Acta Mater. 46 391
[28]	Huo D H, Liang Y C, Chen K 2003 China Mech. Engineer. 14 43 (in Chinese) [霍德鸿, 梁迎春, 程凯 2003 中国机械工程 14 43]
[29]	Yang X J, Zhan S P 2012 Trans. Chin. Soc. Agricult. Machinery 43 250 (in Chinese) [杨晓京, 詹胜鹏 2012 农业机械学报 43 250]
[30]	Ian C, Jane S 2012 Introduction to Programming with Fortran (London: Springer Press) p21
[31]	Jiang W G, Li J W, Su J J, Tang J L 2007 Acta Mech. Solida Sin. 28 375 (in Chinese) [江五贵, 黎军顽, 苏建君, 汤井伦 2007 固体力学学报 28 375]
[32]	Landman U, Luedtke W D, Burnham N A, Colton R J 1990 Science 248 454
[33]	Gouldstone A, Koh H J, Zeng K Y, Giannakopoulos A E, Suresh S 2000 Acta Mater. 48 2277
[34]	Shi L Q, Sun T, Yan Y D, Dong S 2006 Nanotechnol. Precision Engineer. 4 146
[35]	Hu G X, Cai X 2000 Fundamentals of Materials Science (Shanghai: Shanghai Jiaotong University Press) p102 (in Chinese) [胡赓祥, 蔡珣 2000 材料科学基础 (上海: 上海交通大学出版社) 第102页]
[36]	Vugrin Kay E 2003 M. S. Dissertation (Blacksburg: Virginia Polytechnic Institute and State University)
[37]	Rubio G, Agraï N, Vieira S 1995 Phys. Rev. Lett. 76 2302

施引文献

[1]	Zhou Z R, Lei Y Z, Zhang C W 2006 Frontier Development of Tribology (Beijing: Science Press) p4 (in Chinese) [周仲荣, 雷源忠, 张嗣伟 2006 摩擦学发展前沿 (北京: 科学出版社) 第4页]
[2]	Leng Y S, Hu Y Z, Zheng L Q 1999 J. Tribol.-T. ASME 121 128
[3]	Xiao X D, Qian L M 2000 Langmuir 16 8153
[4]	Liu W K, Karpov E G, Zhan G S, Park H S 2004 Comput. Method Appl. M. 193 1529
[5]	Karpov E G, Yu H, Park H S, Kam L W, Jane W Q, Qian D 2006 Int. J. Solids Struct. 43 6359
[6]	Shillkrot L E, Miller R E, Curtin W A 2002 J. Mech. Phys. Solids 50 2085
[7]	Luan B Q, Hyun S, Molinari J F, Bernstein N, Robbins M O 2006 Phys. Rev. E 74 046710
[8]	Liu W K, Park H S 2006 Handbook of Theorectical and Computational Nanotechnology (Stevenson Ranch: American Scientific Publishers)
[9]	Liu W K, Park H S, Qian D, Eduard G, Kadowaki H, Wagner G J 2006 Comput. Method Appl. M. 195 1407
[10]	Miller R E, Tadmor E B 2002 J. Computer-Aided Mater. Des. 9 203
[11]	Tadmor E B, Miller R E 2005 Handbook of Materials Modeling (Dordrecht: Kluwer Academic Publishers)
[12]	Sauer R A, Li S 2007 Finite Elem. Anal. Des. 43 384
[13]	Sauer R A, Li S 2007 Int. J. Numer. Meth. Eng. 71 931
[14]	Li J W, Ni Y S, Lin Y H 2009 Acta Metall. Sin. 45 129 (in Chinese) [黎军顽, 倪玉山, 林逸汉 2009 金属学报 45 129]
[15]	Qin Z D, Wang H T, Ni Y S 2007 Chin. Quart. Mech. 28 46 (in Chinese) [秦昭栋, 王华滔, 倪玉山 2007 力学季刊 28 46]
[16]	Wang H T, Qin Z D, Ni Y S, Zhang W 2009 Acta Phys. Sin. 58 1057 (in Chinese) [王华滔, 秦昭栋, 倪玉山, 张文 2009 58 1057]
[17]	Miller R E, Rodney D 2008 J. Mech. Phys. Solids 56 1203
[18]	Mei J F, Li J W, Ni Y S, Wang H T 2010 Nanoscale Res. Lett. 5 692
[19]	Tadmor E B, Ortiz M, Philips R 1996 Philos. Mag. A 73 1529
[20]	Tadmor E B, 1996 Ph. D. Dissertation (Providence: Brown University)
[21]	Tadmor E B, Miller R E, Philips R, Ortiz M 1999 Mater. Res. 14 2233
[22]	Tadmor E B, Miller R E 2011 Modeling Materials Continuum, Atomistic and Multiscale Techniques (London: Cambridge University Press) p610
[23]	Shenoy V B, Miller R E, Tadmor E B, Rodney D, Phillips R, Ortiz M 1999 Mech. Phys. Solids 47 611
[24]	Erolessi F, Adams J B 1994 Europhys. Lett. 28 583
[25]	Li J W 2010 Ph. D. Dissertation (Shanghai: Fuda University) [黎军顽 2010 博士学位论文 (上海: 复旦大学)]
[26]	Kelchner Cynthia L, Plimpton S J, Hamilton J C 1998 Phys. Rev. B 58 11085
[27]	Michalske T A, Houston J E 1998 Acta Mater. 46 391
[28]	Huo D H, Liang Y C, Chen K 2003 China Mech. Engineer. 14 43 (in Chinese) [霍德鸿, 梁迎春, 程凯 2003 中国机械工程 14 43]
[29]	Yang X J, Zhan S P 2012 Trans. Chin. Soc. Agricult. Machinery 43 250 (in Chinese) [杨晓京, 詹胜鹏 2012 农业机械学报 43 250]
[30]	Ian C, Jane S 2012 Introduction to Programming with Fortran (London: Springer Press) p21
[31]	Jiang W G, Li J W, Su J J, Tang J L 2007 Acta Mech. Solida Sin. 28 375 (in Chinese) [江五贵, 黎军顽, 苏建君, 汤井伦 2007 固体力学学报 28 375]
[32]	Landman U, Luedtke W D, Burnham N A, Colton R J 1990 Science 248 454
[33]	Gouldstone A, Koh H J, Zeng K Y, Giannakopoulos A E, Suresh S 2000 Acta Mater. 48 2277
[34]	Shi L Q, Sun T, Yan Y D, Dong S 2006 Nanotechnol. Precision Engineer. 4 146
[35]	Hu G X, Cai X 2000 Fundamentals of Materials Science (Shanghai: Shanghai Jiaotong University Press) p102 (in Chinese) [胡赓祥, 蔡珣 2000 材料科学基础 (上海: 上海交通大学出版社) 第102页]
[36]	Vugrin Kay E 2003 M. S. Dissertation (Blacksburg: Virginia Polytechnic Institute and State University)
[37]	Rubio G, Agraï N, Vieira S 1995 Phys. Rev. Lett. 76 2302

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