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Molecular Dynamics Investigation on the Temperature Dependence of the Deformation Mechanism of the Polycrystalline Silver Nanowires
Author NameAffiliationE-mail
ZHAO Jian-Wei College of Material and Textile Engineering, Jiaxing University, Jiaxing, Zhejiang 314001 jwzhao@mail.zjxu.edu.cn 
CHENG Na College of Material and Textile Engineering, Jiaxing University, Jiaxing, Zhejiang 314001  
WANG Xiu-Xiu Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082  
YU Gang Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 yuganghnu@163.com 
Colm Durkan Nanoscience Centre, University of Cambridge, Cambridge, CB3 0FF, UK  
WANG Nan Nanoscience Centre, University of Cambridge, Cambridge, CB3 0FF, UK  
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.
Keywords: polycrystalline  nanowires  temperature  tensile  Hall-Petch relation  molecular dynamics
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ZHAO Jian-Wei,CHENG Na,WANG Xiu-Xiu,YU Gang,Colm Durkan,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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Chinese Journal of Inorganic Chemistry