Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads

doi:10.1166/jctn.2010.1472

	Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads
	Tian, Xia; Cui, Junzhi; Xiang, Meizhen
	2010-06-01
发表期刊	JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
ISSN	1546-1955
卷号	7 期号:6 页码:1194-1200
摘要	Molecular dynamics simulations are used to investigate the mechanical behavior of < 001 >/{100} and < 110 >/{111} single-crystalline Cu nanowires under bending and torsion. In the numerical simulations of < 001 >/{100} Cu nanowires subjected to bending, some fivefold deformation twins are observed at large bending angles. It is found that a reciprocal phase transformation from atoms of other 12-coordinate lattice to hcp lattice plays an important role in forming the fivefold deformation twins. Therefore, the formation process is distinct from that reported by Cao and Wei [Appl. Phys. Lett. 89, 041919 (2006)] in nanocrystalline Cu systems. However, for the < 110 >/{111} counterparts under bending, no fivefold deformation twin is detected during the whole deformation process. In addition, we reveal that the emission of full dislocations from the two ends of the wire is the major deformation mechanism for < 001 >/{100} Cu nanowires to torsion, while for < 110 >/{111} Cu samples, the nucleation of full dislocations from the side surfaces is responsible for the torsion plastic deformation.
关键词	Single-Crystalline Cu Nanowires Bending Torsion Plastic Deformation Mechanism Dislocation Deformation Twin
DOI	10.1166/jctn.2010.1472
语种	英语
资助项目	Special Funds for National Basic Research Program of China[2010CB832702] ; National Natural Science Foundation of China[90916027]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000277615600032
出版者	AMER SCIENTIFIC PUBLISHERS
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/9829
专题	计算数学与科学工程计算研究所
通讯作者	Tian, Xia
作者单位	Chinese Acad Sci, Acad Math & Syst Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Tian, Xia,Cui, Junzhi,Xiang, Meizhen. Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads[J]. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,2010,7(6):1194-1200.
APA	Tian, Xia,Cui, Junzhi,&Xiang, Meizhen.(2010).Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,7(6),1194-1200.
MLA	Tian, Xia,et al."Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads".JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 7.6(2010):1194-1200.