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, Junqiang1,2,3; Sun, Qiaoyan1; Xiao, Lin1; Sun, Jun1 | |
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. |
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