Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [1 1 (2)over-bar 0] direction

doi:10.1016/j.commatsci.2018.02.029

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	Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [1 1 (2)over-bar 0] direction
	Ren, Junqiang 1,2,3; Sun, Qiaoyan 1; Xiao, Lin 1; Sun, Jun 1
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2018-05
卷号	147 页码:272-281
关键词	alpha-titanium Dislocation Twinning Stacking fault Molecular dynamics
ISSN号	0927-0256
DOI	10.1016/j.commatsci.2018.02.029
英文摘要	Molecular dynamics simulations were performed with a Finnis-Sinclair many-body potential to investigate the mechanical properties and deformation mechanisms under applied uniaxial tensile and compressive loads in alpha-titanium (Ti) single-crystal nanopillars oriented along the < 1 1 (2) over bar 0 > direction. The results indicate that the mechanical properties and plastic deformation mechanism display tension-compression asymmetry. The non-linear elastic behavior is attributed to the difference in friction between the neighboring atomic planes at the elastic deformation stage under push and pull loading conditions. Increasing the friction leads to hardening with compression. Decreasing the friction leads to softening with tension. Increasing the friction may also lead to higher yield stress with compression compared with tension. Perfect nanopillars are yielded via the nucleation and propagation of {(1) over bar 0 1 0} < 1 (2) over bar 1 0 > dislocations on the surface and corners of the nanopillars. Prismatic slip is the dominant mode of plastic deformation in the Ti nanopillars under compressive loading. However, {1 0 (1) over bar 1} < 1 0 (1) over bar (2) over bar > twinning is the dominant plastic deformation mechanism together with prismatic slip under tensile loading. Two typical intrinsic stacking faults (SFs) with different propensities exist in the nanopillars. The microstructural evolution of the SFs was also simulated. (C) 2018 Elsevier B.V. All rights reserved.
资助项目	973 Program of China[2014CB644003] ; National Natural Science Foundation of China[51471129][51671158][51471136][51621063] ; 111 Project of China[B06025] ; Natural Science Foundation of Gansu Province, China[1610RJZA005]
WOS研究方向	Materials Science
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000427945300030
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/32666]
专题	省部共建有色金属先进加工与再利用国家重点实验室
通讯作者	Xiao, Lin
作者单位	1.Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Shaanxi, Peoples R China 2.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Gansu, Peoples R China 3.Lanzhou Univ Technol, Key Lab Nonferrous Met Alloys & Proc, Minist Educ, Lanzhou 730050, Gansu, Peoples R China
推荐引用方式 GB/T 7714	Ren, Junqiang,Sun, Qiaoyan,Xiao, Lin,et al. Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [1 1 (2)over-bar 0] direction[J]. COMPUTATIONAL MATERIALS SCIENCE,2018,147:272-281.
APA	Ren, Junqiang,Sun, Qiaoyan,Xiao, Lin,&Sun, Jun.(2018).Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [1 1 (2)over-bar 0] direction.COMPUTATIONAL MATERIALS SCIENCE,147,272-281.
MLA	Ren, Junqiang,et al."Atomistic simulation of tension-compression asymmetry and its mechanism in titanium single-crystal nanopillars oriented along the [1 1 (2)over-bar 0] direction".COMPUTATIONAL MATERIALS SCIENCE 147(2018):272-281.