Investigations of the mechanical properties of the Zr8Ti8 random alloy
文献类型:期刊论文
作者 | Huang, Sunchao1,2; Zhang, Xiaoli2![]() ![]() |
刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS C
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出版日期 | 2016-07-01 |
卷号 | 27期号:7页码:1-12 |
关键词 | Random Alloys Sqs Template Bulk Modulus Elastic Constants Ideal Strengths |
DOI | 10.1142/S0129183116500765 |
文献子类 | Article |
英文摘要 | The mechanical property of alloys plays a vital role in applications. In order to probe the mechanical property of the Zr-Ti alloy, we have successfully generated a 16-atom special quasi-random structure (SQS) at concentration 0.5 for the Zr-Ti alloy (Zr8Ti8) with supercell (2 x 2 x 2) based on the hcp Bravais cell, which has the same shape with the hcp Bravais cell. Such an SQS can be used as a good template at the 0.5 concentration of all binary hcp random alloys as the initial step for the further description of their alloy properties. Our calculated bulk modulus of Zr8Ti8 is 101.7 GPa, falling within the region for the extreme two constituents (B-0(Zr) < B-0(Zr8Ti8) < B-0(Ti)). Obtained B/G of Zr8Ti8 (3.60) is significantly larger than those of Zr (2.75) and Ti (2.64), which means that the ductility of Zr8Ti8 alloy is better than those of its constituents. The maximum Cauchy stress of Zr8Ti8 is 20.53GPa at strain (epsilon) = 0.43 in [0001] direction. In addition, this SQS template for Zr8Ti8 has been proved to be mechanically stable. |
WOS关键词 | 1ST-PRINCIPLES ; APPROXIMATION ; METALS |
WOS研究方向 | Computer Science ; Physics |
语种 | 英语 |
WOS记录号 | WOS:000377675300006 |
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 ; 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) ; 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) ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; 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 ; 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) ; 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) ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; U1230202) ; U1230202) |
源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/22116] ![]() |
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.Anhui Univ, Sch Phys & Mat Sci, Hefei 230601, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, 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, Xiaoli,Zhang, Yongsheng,et al. Investigations of the mechanical properties of the Zr8Ti8 random alloy[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C,2016,27(7):1-12. |
APA | Huang, Sunchao,Zhang, Xiaoli,Zhang, Yongsheng,Hou, Songjun,Yangi, Xiaoyu,&Zeng, Zhi.(2016).Investigations of the mechanical properties of the Zr8Ti8 random alloy.INTERNATIONAL JOURNAL OF MODERN PHYSICS C,27(7),1-12. |
MLA | Huang, Sunchao,et al."Investigations of the mechanical properties of the Zr8Ti8 random alloy".INTERNATIONAL JOURNAL OF MODERN PHYSICS C 27.7(2016):1-12. |
入库方式: OAI收割
来源:合肥物质科学研究院
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