| Related citation: | Binbin Wang,Yanqing Su,Liangshun Luo,Liang Wang,Ruirun Chen,Jingjie Guo,Hengzhi Fu.Investigations about the Atomic Structure and Mechanical Behavior of Metallic Glasses after Melt Hydrogenation[J].Journal of Harbin Institute Of Technology(New Series),2020,27(3):189-195.DOI:10.11916/j.issn.1005-9113.20018. |
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| Author Name | Affiliation | | Binbin Wang | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Yanqing Su | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Liangshun Luo | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Liang Wang | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Ruirun Chen | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Jingjie Guo | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China | | Hengzhi Fu | National Key Laboratory for Precision Hot Processing of Metals, School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China |
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| Abstract: |
| “Hydrogen in metallic glasses” has become a popular topic for material scientists, yet few studies focus on the atomic-scale details. Herein, by utilizing molecular dynamic simulations, the changes on the atomic structure of Cu50Zr50 metallic glasses after melt hydrogenation were systematically analyzed, with the aim of understanding the differences of mechanical behavior between these amorphous alloys. The simulated analyses indicate that the hydrogenated samples become more compact than the H-free one, but the fraction of the dominant coordination polyhedra with higher degree of local fivefold symmetry significantly decreases accompanied by the addition of H atoms. Accordingly, melt hydrogenation can induce much more local “soft spots” in metallic glasses to alleviate the degree of strain localization during deformation, i.e., it has a positive influence on the deformability of glassy alloys in agreement with experimental results. |
| Key words: amorphous alloys molecular dynamic simulations atomic structure deformation melt hydrogenation |
| DOI：10.11916/j.issn.1005-9113.20018 |
| Clc Number:TG111 |
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| Descriptions in Chinese: |
| 液态氢化非晶合金原子结构及力学行为研究 王斌斌，苏彦庆，骆良顺，王亮，陈瑞润，郭景杰，傅恒志 （哈尔滨工业大学 金属精密热加工国家级重点实验室，哈尔滨 150001） 中文说明：“非晶合金中的氢”已成为材料科学领域的热点话题，但目前很少有关于原子尺度细节的研究。在本文中，通过分子动力学模拟系统分析了液态氢化前后Cu50Zr50非晶合金的原子结构演变规律，旨在理解二者之间的力学行为差异。模拟分析表明，与未氢化样品相比，氢化非晶合金中原子排布的更加紧密，但具有高度局域五重对称性的主要配位多面体的比例会随着氢原子的加入而显著降低。相应地，液态氢化处理能够诱发非晶合金中形成更多的局域“软点”，降低变形过程中的应变局域化程度，即液态氢化能够改善非晶合金的变形能力，这与实验结果相一致。 关键词：非晶合金，分子动力学模拟，原子结构，变形，液态氢化 |
