First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys
文献类型：期刊论文
| 作者 | Zhang, Li-Min1; Cao, Shuo2; Zhang, Xue-Chun2; Zhang, Shang-Zhou3; Hu, Qing-Miao2 |
| 刊名 | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
 |
| 出版日期 | 2024-03-01 |
| 卷号 | 29页码:3813-3823 |
| 关键词 | Ni-based superalloys First-principles Generalized stacking fault energy Dislocations Rafting |
| ISSN号 | 2238-7854 |
| DOI | 10.1016/j.jmrt.2024.02.127 |
| 通讯作者 | Cao, Shuo(scao14b@imr.ac.cn) ; Zhang, Shang-Zhou(szzhang@ytu.edu.cn) |
| 英文摘要 | The rafting of the microstructure of Ni-based superalloys significantly deteriorates the mechanical properties. According to the plastic rafting model based on the dislocation mechanism, the directional atomic diffusion induced by the interaction between the alloying atom and the interfacial dislocation is critical to the evolution of the rafting microstructure. In the present work, the interactions between the alloying atom and dislocation core in both matrix gamma phase and the precipitate gamma ' phase are investigated by using a first principles method in combination with the semi-discrete variational Peierls-Nabarro dislocation model. We show that the alloying atoms Al, Cr, Co, Mo, Ru, Ta, W, Re lower the (edge for Cr and Co) dislocation core energy in the gamma phase, indicating that the alloying atoms are attractive to the dislocation core. For the gamma ' phase, Cr, Mo, Ta, W, Re raise whereas Co and Ru lower the dislocation core energy, i.e., Cr, Mo, Ta, W, Re are repulsive but Co and Ru are attractive to the dislocation core. With the calculated interaction between the alloying atoms and the dislocation core, the influence of these alloying elements on the rafting of the superalloy is discussed. |
| 资助项目 | National Key Research and Development Program of China[2022YFB3708300] ; National Major Science and Technology Projects of China[J2019 -VI -0023-0140] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001194476100001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Key Research and Development Program of China ; National Major Science and Technology Projects of China |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Cao, Shuo; Zhang, Shang-Zhou |
| 作者单位 | 1.Yantai Univ, Coll Nucl Equipment & Nucl Engn, Yantai 264005, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Yantai Univ, Inst Adv Studies Precis Mat, Yantai 264005, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Li-Min,Cao, Shuo,Zhang, Xue-Chun,et al. First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,29:3813-3823. |
| APA | Zhang, Li-Min,Cao, Shuo,Zhang, Xue-Chun,Zhang, Shang-Zhou,&Hu, Qing-Miao.(2024).First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,29,3813-3823. |
| MLA | Zhang, Li-Min,et al."First-principles investigations of the interaction between alloying atom and dislocation and its implication to the rafting of Ni-based superalloys".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 29(2024):3813-3823. |
入库方式： OAI收割
来源：金属研究所
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