|本期目录/Table of Contents|

[1]刘宏西,周剑秋.多晶镍纳米线拉伸变形过程尺寸效应的分子动力学模拟[J].南京工业大学学报(自然科学版),2016,38(03):8-12.[doi:10.3969/j.issn.1671-7627.2016.03.002]
　LIU Hongxi,ZHOU Jianqiu.Sample size effect of polycrystalline Ni nanowires under tension: molecular dynamics simulation[J].Journal of NANJING TECH UNIVERSITY(NATURAL SCIENCE EDITION),2016,38(03):8-12.[doi:10.3969/j.issn.1671-7627.2016.03.002]
点击复制

多晶镍纳米线拉伸变形过程尺寸效应的分子动力学模拟()
分享到：

《南京工业大学学报（自然科学版）》[ISSN:1671-7627/CN:32-1670/N]

卷:
38
期数:
2016年03期
页码:
8-12
栏目:
出版日期:
2016-05-28

文章信息/Info

Title:
Sample size effect of polycrystalline Ni nanowires under tension: molecular dynamics simulation
文章编号:
1671-7627(2016)03-0008-05
作者:
刘宏西; 周剑秋
南京工业大学 机械与动力工程学院,江苏 南京 211800
Author(s):
LIU Hongxi; ZHOU Jianqiu
College of Mechanical and Power Engineering,Nanjing Tech University,Nanjing 211800,China
关键词:
分子动力学;  多晶;  纳米线;  塑性变形机制
Keywords:
molecular dynamics;  polycrystalline;  nanowires;  plastic deformation mechanism
分类号:
TB113
DOI:
10.3969/j.issn.1671-7627.2016.03.002
文献标志码:
A
摘要:
运用分子动力学模拟方法研究了不同尺寸多晶镍纳米线在受拉过程中的塑性变形行为,详细分析了多晶镍纳米线直径尺寸对其流变应力以及塑性变形机制的影响。从模拟结果中可以看出,在多晶镍纳米线受拉产生变形的过程中,晶界滑移主导晶间变形机制,位错形核滑移主导晶内变形机制。随着多晶镍纳米线半径的增加,平均流变应力逐渐增加,但增幅趋于平缓。这是由于径向分布的晶粒个数随着纳米线直径的增加而增加,限制了晶界的滑移,使更多的位错形核于晶界,在滑移扩展过程中相遇发生堆积缠绕,进而对纳米线产生强化作用。位错密度随纳米线直径的增加增幅逐渐降低,导致了流变应力增幅趋于平缓。
Abstract:
The deformation mechanisms and tensile behavior of polycrystalline Ni nanowires with various diameters were investigated by molecular dynamics simulation.The results showed that grain boundary sliding and dislocation activities dominated the inter-and intra-granular deformation respectively.With the increase of nanowire diameter,the averaged flow stress increased gradually while the increase amplification decreased. Such a result could be attributed to the increased number of grains along the radial direction,which applied more constraints on grain boundary sliding,and then promoted more dislocation nucleating from grain boundaries.These dislocations tangled with each other forming pileups during propagation,and hence strengthened the nanowires.The reducing increase amplification of average stress could be attributed to the reduction of dislocation density increasement in nanowires with increasing diameter.

参考文献/References:

[1] POSTMA H C,KOZINSKY I,HUSAIN A,et al.Dynamic range of nanotube-and nanowire-based electromechanical systems[J].Applied physics letters,2005,86(22):223105.
[2] TONISCH K,CIMALLA V,WILL F,et al.Nanowire-based electromechanical biomimetic sensor [J].Physica E:low-dimensional systems and nanostructures,2007,37(1):208.
[3] KUMAR K,VAN SWYGENHOVEN H,SURESH S.Mechanical behavior of nanocrystalline metals and alloys [J].Acta materialia,2003,51(19):5743.
[4] SURYANARAYANA C,KOCH C.Nanocrystalline materials:current research and future directions [J].Hyperfine interactions,2000,130(4):5.
[5] MEYERS M A,MISHRA A,BENSON D J.Mechanical properties of nanocrystalline materials [J].Progress in materials science,2006,51(4):427.
[6] HAHN H,MONDAL P,PADMANABHAN K.Plastic deformation of nanocrystalline materials [J].Nanostructured materials,1997,9(1):603.
[7] BITZEK E,BRANDL C,DERLET P,et al.Dislocation cross-slip in nanocrystalline fcc metals [J].Physical review letters,2008,100(23):235501.
　　
[8] 李小凡,胡望宇,肖时芳,等.单晶和多晶钼纳米丝轴向拉伸的模拟对比 [J].中国有色金属学报,2009,19(11):1982.
[9] 袁林,敬鹏,刘艳华,等.多晶银纳米线拉伸变形的分子动力学模拟研究 [J].物理学报,2014,63(1):16201.
[10] WU Z,ZHANG Y W,JHON M H,et al.Nanostructure and surface effects on yield in Cu nanowires[J].Acta materialia,2013,61:1831.
[11] CAO R,DENG C.The ultra-small strongest grain size in nanocrystalline Ni nanowires [J].Scripta materialia,2015,94:9.
[12] DENG C,SANSOZ F.Near-ideal strength in gold nanowires achieved through microstructural design [J].ACS nano,2009,3(10):3001.
[13] RUPERT T J.Strain localization in a nanocrystalline metal:atomic mechanisms and the effect of testing conditions [J].Journal of applied physics,2013,114(3):033527.
[14] SANSOZ F,DUPONT V.Nanoindentation and plasticity in nanocrystalline Ni nanowires:a case study in size effect mitigation [J].Scripta materialia,2010,63(11):1136.
[15] STUKOWSKI A.Visualization and analysis of atomistic simulation data with OVITO—the open visualization tool[J].Modelling and simulation materials science and engineering,2010,18:015012.
[16] SHAN D B,ZONG Y Y,LV Y,et al.The effect of hydrogen on the strengthening and softening of Ti-6Al-4V alloy [J].Scripta materialia,2008,58(6):449.
[17] MISHIN Y,FARKAS D,MEHL M J,et al.Interatomic potentials for monoatomic metals from experimental data and ab initio calculations [J].Physical review B,1999,59(5):3393.

相似文献/References:

[1]陶长贵,王佳,周健.湿度对O2在乙烯乙烯醇共聚物中扩散影响的分子模拟[J].南京工业大学学报(自然科学版),2009,31(04):70.
　TAO Chang-gui,WANG Jia,ZHOU Jian.Molecular simulation of humidity effect on diffusion of oxygen in ethylene-vinyl alcohol copolymer[J].Journal of NANJING TECH UNIVERSITY(NATURAL SCIENCE EDITION),2009,31(03):70.
[2]杜球,杨晓宁.粗粒化尺度模拟全氟烷烃的界面张力[J].南京工业大学学报(自然科学版),2011,33(01):18.[doi:10.3969/j.issn.1671-7627.2011.01.004]
　DU Qiu,YANG Xiaoning.Coarse-grained simulation of surface tension of perfluorocarbons[J].Journal of NANJING TECH UNIVERSITY(NATURAL SCIENCE EDITION),2011,33(03):18.[doi:10.3969/j.issn.1671-7627.2011.01.004]
[3]陆小华,王俊,朱宇,等.分子动力学模拟研究流体微观结构和扩散性质[J].南京工业大学学报(自然科学版),2002,24(01):7.[doi:10.3969/j.issn.1671-7627.2002.01.002]
[4]丁皓,朱宇,陆小华,等.MgCl2水溶液分子动力学模拟[J].南京工业大学学报(自然科学版),2002,24(04):9.[doi:10.3969/j.issn.1671-7627.2002.04.002]
[5]王俊,丁皓,朱宇,等.并行计算在分子模拟中的应用[J].南京工业大学学报(自然科学版),2003,25(01):9.[doi:10.3969/j.issn.1671-7627.2003.01.003]

备注/Memo

备注/Memo:
收稿日期:2015-08-29
基金项目:国家自然科学基金(11272143)
作者简介:刘宏西(1986—),男,河南安阳人,博士生,主要研究方向为纳米合金制备和力学性能; 周剑秋(联系人),教授,E-mail:zhouj@njtech.edu.cn.
引用本文:刘宏西,周剑秋.多晶镍纳米线拉伸变形过程尺寸效应的分子动力学模拟[J].南京工业大学学报(自然科学版),2016,38(3):8-12..
更新日期/Last Update: 2016-05-20