Journal of Alloys and Compounds2022,Vol.8999.DOI:10.1016/j.jallcom.2021.163326

A combined experimental and ab initio molecular dynamics study on a novel B-based B50Sm10Co40 amorphous alloy

Ran Y. Li Y. Ma S. Lai L. Chen J. Wang X. Jiang L. Yao M. Zhang W.
Journal of Alloys and Compounds2022,Vol.8999.DOI:10.1016/j.jallcom.2021.163326

A combined experimental and ab initio molecular dynamics study on a novel B-based B50Sm10Co40 amorphous alloy

Ran Y. 1Li Y. 1Ma S. 1Lai L. 1Chen J. 1Wang X. 1Jiang L. 1Yao M. 1Zhang W.1
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作者信息

  • 1. Key Laboratory of Materials Modification by Laser Ion and Electron Beams (Ministry of Education) School of Materials Science and Engineering Dalian University of Technology
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Abstract

A novel B-based B50Sm10Co40 amorphous alloy was fabricated by melt-spinning technique. The crystallization temperature, Vickers hardness, and Young's modulus of the alloy are 1068 K, 15.2 GPa, and 230 GPa, respectively, much higher than those of a Co-based Co65Sm10B25 amorphous alloy in the same system. Ab initio molecular dynamics simulation based on density-functional theory indicates that the short-range order of the B50Sm10Co40 amorphous alloy is dominated by B-centered tri-capped trigonal prisms (TTPs) and bi-capped square Archimedean antiprisms, whereas the Co65Sm10B25 alloy mainly contains B-centered TTPs and Co-centered distorted icosahedral-like polyhedra, and the fraction of the TTPs is lower than that in the B50Sm10Co40. The dense-packed B-centered prism-type clusters with a high proportion of stable B–B covalent bonds reduce the atomic diffusivity and mobility, and increase the resistance to crystallization and shear transformation, which contribute to the high thermal stability and hardness/modulus of the B-based B50Sm10Co40 amorphous alloy.

Key words

AIMD/B-based amorphous alloy/B–Sm–Co alloy/Hardness/Local atomic structure/Thermal stability

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出版年

2022
Journal of Alloys and Compounds

Journal of Alloys and Compounds

EISCI
ISSN:0925-8388
被引量1
参考文献量62
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