Molecular Dynamics Investigation of Metastable Structure and Hybridization Bond Evolution in High-Entropy CoCrFeNi Heterostructured Amorphous Carbon Films
文献类型：期刊论文
| 作者 | Zhou, Yefei1,2; Ding, Ming1; Niu, Xinyue1; Xing, Xiaolei1; Wang, Dianlong1; Yang, Qingxiang2; Pan, Deng1; Xiao, Jianwei3; Shi, Zhijun1 |
| 刊名 | LANGMUIR
 |
| 出版日期 | 2024-08-16 |
| 卷号 | 40期号:34页码:18242-18253 |
| ISSN号 | 0743-7463 |
| DOI | 10.1021/acs.langmuir.4c02056 |
| 通讯作者 | Xiao, Jianwei(jwxiao@imr.ac.cn) ; Shi, Zhijun(shizj@ysu.edu.cn) |
| 英文摘要 | Heterogeneous element doping in amorphous carbon films can reduce residual stresses and improve plastic deformation. Nevertheless, the effects of dopant content and size on the metastable transition mechanism between sp(2)-C and sp(3)-C atoms during the deformation process are unclear and difficult to be in situ observed and researched, experimentally. In this work, the mechanical properties and the structural evolution during the nanoindentation of amorphous CoCrFeNi sphere-doped carbon heterostructured films with different radii were simulated. The results indicate that the hardness H and elastic modulus E of the films decreased with the increase of the dopant addition. H decreases from 50.69 to 28.94 GPa, and E decreases from 664.39 to 448.62 GPa. The decrease in the elastic recovery and the enlargement of the shear transition zones indicate that the presence of the amorphous CoCrFeNi dopant can significantly improve the plastic deformation capacity of the films. During the nanoindentation process, the spherical dopants reduce the stress and shear strain of the regions under the indenter in a-C films. The reduction of compressive and shear stresses in the film can inhibit the C atom metastable transition from sp(2)-C to sp(3)-C. This can provide a theoretical basis for the development and design of heavy-load and high-deformation-rate a-C films. |
| 资助项目 | National Natural Science Foundation of China[52205205] ; National Natural Science Foundation of China[52375208] ; Hebei Natural Science Foundation[E2024203093] ; Hebei Natural Science Foundation[E2024203056] ; Hebei Natural Science Foundation[E2024203127] ; Hebei Natural Science Foundation[E2020203022] ; S&T Program of Hebei[236Z1809G] ; Aeronautical Science Foundation of China[201945099002] ; Open Fund Projects of State Key Laboratory of Special Surface Protection Materials and Application Technology[CBGZJJ2023-2-04] |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001293319200001 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Natural Science Foundation of China ; Hebei Natural Science Foundation ; S&T Program of Hebei ; Aeronautical Science Foundation of China ; Open Fund Projects of State Key Laboratory of Special Surface Protection Materials and Application Technology |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Xiao, Jianwei; Shi, Zhijun |
| 作者单位 | 1.Yanshan Univ, Sch Mech Engn, Qinhuangdao 066004, Peoples R China 2.Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, Yefei,Ding, Ming,Niu, Xinyue,et al. Molecular Dynamics Investigation of Metastable Structure and Hybridization Bond Evolution in High-Entropy CoCrFeNi Heterostructured Amorphous Carbon Films[J]. LANGMUIR,2024,40(34):18242-18253. |
| APA | Zhou, Yefei.,Ding, Ming.,Niu, Xinyue.,Xing, Xiaolei.,Wang, Dianlong.,...&Shi, Zhijun.(2024).Molecular Dynamics Investigation of Metastable Structure and Hybridization Bond Evolution in High-Entropy CoCrFeNi Heterostructured Amorphous Carbon Films.LANGMUIR,40(34),18242-18253. |
| MLA | Zhou, Yefei,et al."Molecular Dynamics Investigation of Metastable Structure and Hybridization Bond Evolution in High-Entropy CoCrFeNi Heterostructured Amorphous Carbon Films".LANGMUIR 40.34(2024):18242-18253. |
入库方式： OAI收割
来源：金属研究所
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