| 多晶粒银纳米线形变机理对温度依赖性的分子动力学研究 |
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| 引用本文： | 赵健伟,程娜,汪秀秀,余刚,Colm Durkan,王楠.多晶粒银纳米线形变机理对温度依赖性的分子动力学研究[J].无机化学学报,2018,34(1):43-54. |
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| 作者姓名： | 赵健伟 程娜 汪秀秀 余刚 Colm Durkan 王楠 |
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| 作者单位： | 嘉兴学院材料与纺织工程学院, 嘉兴 314001,嘉兴学院材料与纺织工程学院, 嘉兴 314001,湖南大学化学与化工学院, 长沙 410082,湖南大学化学与化工学院, 长沙 410082,剑桥大学纳米科学中心, 剑桥CB3 0FF, 英国,剑桥大学纳米科学中心, 剑桥CB3 0FF, 英国 |
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| 基金项目： | 国家自然科学基金（No.51271074）资助项目。 |
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| 摘 要： | 基于大规模分子动力学仿真,研究了包含多个晶粒的柱状银纳米线在不同温度下沿轴向拉伸形变的行为。结果表明,当温度低于200 K时,含较大晶粒的体系中位错滑移是其形变的主要机理,最大应力随温度变化不显著。当环境温度高于200 K时,晶粒的滑动逐渐成为形变的主导因素,这一特征在含更小晶粒的体系内表现更明显。同时最大应力随温度显著降低。基于上述结果,进一步讨论了温度对Hall-Petch关系的影响。
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| 关 键 词： | 多晶 纳米线 温度 拉伸 Hall-Petch效应 分子动力学 |
| 收稿时间： | 2017/6/27 0:00:00 |
| 修稿时间： | 2017/9/20 0:00:00 |
Molecular Dynamics Investigation on the Temperature Dependence of the Deformation Mechanism of the Polycrystalline Silver Nanowires |
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| ZHAO Jian-Wei,CHENG N,WANG Xiu-Xiu,YU Gang,Colm Durkan and WANG Nan.Molecular Dynamics Investigation on the Temperature Dependence of the Deformation Mechanism of the Polycrystalline Silver Nanowires[J].Chinese Journal of Inorganic Chemistry,2018,34(1):43-54. |
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| Authors: | ZHAO Jian-Wei CHENG N WANG Xiu-Xiu YU Gang Colm Durkan and WANG Nan |
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| Institution: | College of Material and Textile Engineering, Jiaxing University, Jiaxing, Zhejiang 314001,College of Material and Textile Engineering, Jiaxing University, Jiaxing, Zhejiang 314001,Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082,Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082,Nanoscience Centre, University of Cambridge, Cambridge, CB3 0FF, UK and Nanoscience Centre, University of Cambridge, Cambridge, CB3 0FF, UK |
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| Abstract: | Based on molecular dynamics simulations, the plastic deformation of columnar polycrystalline silver nanowires under uniaxial tension at different temperatures has been studied systematically. At a temperature below 200 K, the system with large grains deforms predominantly via the mechanism of dislocation slip, and the maximum yield strength remains relatively constant with temperature. When the simulation temperature is over 200 K, grain sliding gradually becomes the dominant deformation mechanism, especially for those samples with reduced grain size and the maximum yield strength shows a decrease with the increase of temperature. The temperature-dependence of the Hall-Petch relation has been discussed. |
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| Keywords: | polycrystalline nanowires temperature tensile Hall-Petch relation molecular dynamics |
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