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Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies

文献类型：期刊论文

作者Huang, Sunchao1,2; Zhang, Yongsheng1,3; Zhang, Xiaoli1; Wang, Zongguo4; Yang, Xiaoyu4; Zeng, Zhi1,3
刊名COMPUTATIONAL MATERIALS SCIENCE
出版日期2017-02-01
卷号127期号:无页码:60-66
关键词Zirconium Alloys Mechanical Properties Elastic Constants Sqss First-principles Calculations
DOI10.1016/j.commatsci.2016.10.028
文献子类Article
英文摘要We present a detailed investigation on mechanical properties of Zr-X (X= Ti, Hf and Sc) alloy systems using the first-principles calculations in conjunction with special quasi-random structures (SQSs). It is found that the strength of mechanical coefficients such as elastic constants and elastic modulus depend linearly on the composition in Zr-Hf and Zr-Sc systems, whereas they depend parabolically on the composition in Zr-Ti system. Such a phenomenon is mainly induced by the presence of Zr-X metallic bond in the alloy systems. In addition, the strength of mechanical coefficients can be well described as a function of alloying composition by a special quadratic function that only has one coefficient F: Y = M-zr (1 - x) + M(X)x + x(1 - x)F. With this function, mechanical coefficients of Zr-X alloy systems in whole composition range can be quickly estimated. Moreover Ti can considerably enhance the ductility of Zr when Ti concentration is 0.43. (C) 2016 Elsevier B.V. All rights reserved.
WOS关键词1ST-PRINCIPLES CALCULATIONS ; THERMODYNAMIC PROPERTIES ; SOLID-SOLUTIONS ; ELASTICITY ; SYSTEM
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000390499700008
资助机构National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; 11534012 ; 11534012 ; 11534012 ; 11534012 ; 11474283 ; 11474283 ; 11474283 ; 11474283 ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; National Science Foundation of China(11204310 ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; One Hundred Person Project of the Chinese Academy of Sciences(Y54N251241) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; Beijing Computational Science Research Center (CSRC) ; 11534012 ; 11534012 ; 11534012 ; 11534012 ; 11474283 ; 11474283 ; 11474283 ; 11474283 ; U1230202) ; U1230202) ; U1230202) ; U1230202)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/30264]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
2.Anhui Univ, Sch Phys & Mat Sci, Hefei 230601, Peoples R China
3.Univ Sci & Technol China, Hefei 230026, Peoples R China
4.Chinese Acad Sci, CNIC, POB 349, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Huang, Sunchao,Zhang, Yongsheng,Zhang, Xiaoli,et al. Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies[J]. COMPUTATIONAL MATERIALS SCIENCE,2017,127(无):60-66.
APA Huang, Sunchao,Zhang, Yongsheng,Zhang, Xiaoli,Wang, Zongguo,Yang, Xiaoyu,&Zeng, Zhi.(2017).Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies.COMPUTATIONAL MATERIALS SCIENCE,127(无),60-66.
MLA Huang, Sunchao,et al."Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies".COMPUTATIONAL MATERIALS SCIENCE 127.无(2017):60-66.

入库方式： OAI收割

来源：合肥物质科学研究院

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