| 体心立方固溶体合金中的"团簇+连接原子"结构模型 |
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| 引用本文： | 郝传璞,王清,马仁涛,王英敏,羌建兵,董闯.体心立方固溶体合金中的"团簇+连接原子"结构模型[J].物理学报,2011,60(11):116101-116101. |
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| 作者姓名： | 郝传璞 王清 马仁涛 王英敏 羌建兵 董闯 |
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| 作者单位： | 大连理工大学三束材料改性教育部重点实验室,大连理工大学材料学院,大连 116024 |
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| 基金项目： | 国家自然科学基金(批准号:50901012,50631010)和国家重点基础研究发展计划(批准号:2007CB613902)资助的课题. |
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| 摘 要： | 为体现固溶体合金中的溶质原子产生的化学短程序,文章提出了配位数为14的团簇在体心立方(bcc)点阵中的堆垛模式,并建立了基于bcc结构的"团簇+连接原子"结构模型,用团簇成分式团簇](连接原子)x表述. 此模型中,与基体组元具有相对大的负混合焓的溶质原子占据团簇心部,其他原子作为连接或者替代团簇壳层基体原子. 1 ∶1结构模型团簇](连接原子)1由于最大程度地保证了团簇与连接原子的近邻,构成了连接原子最有效的合金化方式. 在两个实用bcc固溶体合金体系中, 1 ∶1模型指导设计了低V含量的储氢合金 V1和低弹性模量高强度的 Nb1合金.
关键词：
体心立方固溶体成分设计
"团簇+连接原子"结构模型
Ti-Cr-V合金
Ti-Zr-Mo-Nb合金
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| 关 键 词： | 体心立方固溶体成分设计 "团簇+连接原子"结构模型 Ti-Cr-V合金 Ti-Zr-Mo-Nb合金 |
| 收稿时间： | 2010-09-26 |
Cluster-plus-glue-atom model in bcc solid solution alloys |
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| Hao Chuan-Pu,Wang Qing,Ma Ren-Tao,Wang Ying-Min,Qiang Jian-Bing and Dong Chuang.Cluster-plus-glue-atom model in bcc solid solution alloys[J].Acta Physica Sinica,2011,60(11):116101-116101. |
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| Authors: | Hao Chuan-Pu Wang Qing Ma Ren-Tao Wang Ying-Min Qiang Jian-Bing and Dong Chuang |
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| Institution: | Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China;Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China;Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China;Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China;Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China;Key Laboratory of Materials Modification, Dalian University of Technology, Ministry of Education, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China |
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| Abstract: | In the present work we propose the cluster-plus-glue-atom model for bcc solid solutions by establishing periodic packing geometries of CN14 basic clusters in bcc lattice to reflect the idealized chemical short-range order near solute atoms. The model is expressed by cluster formula (glue)x, where the cluster center is occupied by a solute having the largest negative enthalpy, mixed with the solvent, and other solute atoms serves as glues or substitute for the solvents in cluster shell. The 1 ∶1 cluster model (glue atom)1 is specially emphasized that guarantees to a maximum extent the glue-cluster nearest neighbors and hence forms a most efficient configuration. This 1 ∶1 model is conducible to the design of a low-V hydrogen-storage V1 alloy and a Nb1 alloy with low Young’s modulus combined with high strength. |
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| Keywords: | composition design of BCC solid solutions cluster-plus-glue-atom model Ti-Cr-V alloys Ti-Zr-Mo-Nb alloys |
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