Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study
文献类型：期刊论文
| 作者 | He, Hong1,2; Ma, Shangyi2,3; Wang, Shaoqing2 |
| 刊名 | JOURNAL OF NUCLEAR MATERIALS
 |
| 出版日期 | 2023-02-01 |
| 卷号 | 574页码:11 |
| ISSN号 | 0022-3115 |
| 关键词 | Grain boundaries Tungsten Grain boundary atomic density Molecular dynamics simulation |
| DOI | 10.1016/j.jnucmat.2022.154198 |
| 通讯作者 | Ma, Shangyi(shyma@imr.ac.cn) |
| 英文摘要 | The grain boundaries (GBs) play an important role in absorbing the point defects (interstitials and va-cancies) generated by irradiation, and thus have significant effects on the resistance of materials to ir-radiation damage. In this work, considering the change of GB atomic density caused by absorbing point defects and irradiation temperature, 19 < 110 > symmetric tilt grain boundaries (STGBs) in tungsten were systematically studied with different GB atomic densities and different temperatures, based on the Molec-ular Dynamics simulations. The GBE difference caused by the change of GB atomic density, AGBE[n], are different for different STGBs. Our calculations show that the STGBs with large AGBE[n] are generally poor sinks for interstitials, while those with small AGBE[n] are generally strong sinks. The STGBs acting as strong sinks are generally those high-angle and high-GBE GBs. High temperature may lead to the forma-tion of GB complexions containing local close-packed hexagonal (HCP) or face-centered cubic (FCC) struc-tures at some special STGBs, which is not only related to the preferred lattice misorientations, but also associated with the symmetry of STGBs. These GB complexion transitions may reduce the GBEs of these special STGBs. Compared with GB atomic density, high temperature may significantly further promote the formation of local HCP or FCC structures at these special STGBs. Furthermore, a new GB structure analysis method based on the stacking of effective interstices was proposed to assess the absorption capacity of the 19 STGBs to interstitials. It was found that the absorption capacity of GBs to interstitials is negatively related to effective interstice density, while positively correlated with effective interstice size. This effec-tive interstice analysis method offers a new way to assess the absorption capacity of GBs to interstitials, which is valuable in materials designing of irradiation resistance. (c) 2022 Elsevier B.V. All rights reserved. |
| 资助项目 | SYNL Basic Frontier & Techno-logical Innovation Re-search Project[L2019R10] ; National Key R&D Program of China[2016YFB0701302] ; CAS Frontier Science Research Project[QYZDJ-SSW-JSC015] |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000904426600003 |
| 资助机构 | SYNL Basic Frontier & Techno-logical Innovation Re-search Project ; National Key R&D Program of China ; CAS Frontier Science Research Project |
| 源URL | [http://ir.imr.ac.cn/handle/321006/175284]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Ma, Shangyi |
| 作者单位 | 1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Beijing, Peoples R China |
| 推荐引用方式 GB/T 7714 | He, Hong,Ma, Shangyi,Wang, Shaoqing. Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study[J]. JOURNAL OF NUCLEAR MATERIALS,2023,574:11. |
| APA | He, Hong,Ma, Shangyi,&Wang, Shaoqing.(2023).Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study.JOURNAL OF NUCLEAR MATERIALS,574,11. |
| MLA | He, Hong,et al."Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study".JOURNAL OF NUCLEAR MATERIALS 574(2023):11. |
入库方式： OAI收割
来源：金属研究所
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