| Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation | |
| Xue, Hongtao1; Yu, Xudong1; Zhou, Xin2; Tang, Fuling1; Li, Xiuyan2; Wu, Youzhi1; Ren, Junqiang1; Lu, Xuefeng1 | |
| Corresponding Author | Tang, Fuling(tfl@lut.edu.cn) |
| 2022-01-20 | |
| Source Publication | MODERN PHYSICS LETTERS B
 |
| ISSN | 0217-9849 |
| Volume | 36Issue:02Pages:15 |
| Abstract | The stabilization of grain boundaries (GBs) is beneficial for improving the stability and mechanical properties of nanocrystalline (NC) metals. Molecular dynamics (MD) calculations were performed to investigate the shear response of Ni Sigma 17 [110](223) symmetrical tilt GB. It was found that under the action of shear, the nucleation and evolution of the GB source Shockley partial dislocations ultimately result in the low-energy-state transformation of the GB structure units (SUs). However, the Ag atom contained in the GB increases the shear stress and strain required for the GB relaxation, and the strain range for the GB relaxation is expanded, indicating the inhibitory effect of the Ag atom on the structural relaxation of Ni Sigma 17 [110](223) GB. As the temperature increases from 10 K to 250 K, the structural relaxation of Ni Sigma 17 [110](223) GB becomes easier to proceed. In addition to segregation-induced GB stabilization, strain-induced GB relaxation and the roles of foreign atom and temperature clarified in this work could provide several new entry points for stabilizing high-energy GBs. |
| Keyword | Grain boundary relaxation Ni Sigma 17 [110](223) grain boundary molecular dynamics grain boundary stability nanocrystalline metals |
| Funding Organization | Ministry of Science and Technology of China ; Natural Science Fund for Distinguished Young Scholars of Gansu Province of China ; State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals ; Hongliu Excellent Young Talents Support Program of Lanzhou University of Technology ; Shenyang National Laboratory for Materials Science |
| DOI | 10.1142/S0217984921504017 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Ministry of Science and Technology of China[2017YFA0700701] ; Natural Science Fund for Distinguished Young Scholars of Gansu Province of China[20JR5RA477] ; State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals[18LHPY003] ; Hongliu Excellent Young Talents Support Program of Lanzhou University of Technology ; Shenyang National Laboratory for Materials Science[18LHPY003] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied ; Physics, Condensed Matter ; Physics, Mathematical |
| WOS ID | WOS:000746685300001 |
| Publisher | WORLD SCIENTIFIC PUBL CO PTE LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/173652 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Tang, Fuling |
| Affiliation | 1.Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Xue, Hongtao,Yu, Xudong,Zhou, Xin,et al. Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation[J]. MODERN PHYSICS LETTERS B,2022,36(02):15. |
| APA | Xue, Hongtao.,Yu, Xudong.,Zhou, Xin.,Tang, Fuling.,Li, Xiuyan.,...&Lu, Xuefeng.(2022).Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation.MODERN PHYSICS LETTERS B,36(02),15. |
| MLA | Xue, Hongtao,et al."Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation".MODERN PHYSICS LETTERS B 36.02(2022):15. |
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