TY - JOUR
T1 - Effect of body defect on mechanical behaviors of Cu nanowire under tension
T2 - a molecular dynamics investigation
AU - Qiao, Chong
AU - Guo, Yangyang
AU - Wang, Zhanyu
AU - Zheng, Yuxiang
AU - Zhang, Rongjun
AU - Chen, Liangyao
AU - Chen, Yu Lim
AU - Su, Wan Sheng
AU - Jia, Yu
AU - Wang, Songyou
N1 - Publisher Copyright:
© 2017, Springer Science+Business Media, LLC.
PY - 2017/11/1
Y1 - 2017/11/1
N2 - Using molecular dynamics (MD) simulations, we explore the effects of body defects on the elastic and plastic properties of Cu nanowires along <100>, <110> and <111> crystallographic orientations under tension, respectively. Such a body defect is a vacuum sphere localized at the center of nanowire with a radius changing from 1.80 to 10.83 Å. Our calculations illustrate that body defects have a little influence on the elastic properties of Cu nanowires, whereas they have a great influence on the plastic properties of Cu nanowires, showing orientation dependence. In <100> oriented nanowire, the existence of body defects leads to a decrease in the plastic property of nanowire, whereas it plays an opposite role in both <110> and <111> oriented nanowires, resulting in an improvement in the plastic properties of nanowires. Our findings provide an effective method to improve the plastic properties of Cu nanowires, which could be widely applied for the design of nanodevices.
AB - Using molecular dynamics (MD) simulations, we explore the effects of body defects on the elastic and plastic properties of Cu nanowires along <100>, <110> and <111> crystallographic orientations under tension, respectively. Such a body defect is a vacuum sphere localized at the center of nanowire with a radius changing from 1.80 to 10.83 Å. Our calculations illustrate that body defects have a little influence on the elastic properties of Cu nanowires, whereas they have a great influence on the plastic properties of Cu nanowires, showing orientation dependence. In <100> oriented nanowire, the existence of body defects leads to a decrease in the plastic property of nanowire, whereas it plays an opposite role in both <110> and <111> oriented nanowires, resulting in an improvement in the plastic properties of nanowires. Our findings provide an effective method to improve the plastic properties of Cu nanowires, which could be widely applied for the design of nanodevices.
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U2 - 10.1007/s10853-017-1408-8
DO - 10.1007/s10853-017-1408-8
M3 - Article
AN - SCOPUS:85026553046
SN - 0022-2461
VL - 52
SP - 13237
EP - 13246
JO - Journal of Materials Science
JF - Journal of Materials Science
IS - 22
ER -