FIRST-PRINCIPLES INVESTIGATIONS OF LATTICE PARAMETERS, BULK MODULI AND PHASE STABILITIES OF Ti1-xVx AND Ti1-xNbx ALLOYS
文献类型：期刊论文
| 作者 | Zhao Yufei1,2; Fu Yuechun1; Hu Qingmiao2; Yang Rai2 |
| 刊名 | ACTA METALLURGICA SINICA
 |
| 出版日期 | 2009-09-11 |
| 卷号 | 45期号:9页码:1042-1048 |
| 关键词 | Ti alloy lattice parameter bulk modulus phase stability first-principle calculation |
| ISSN号 | 0412-1961 |
| 通讯作者 | Hu Qingmiao(qmhu@imr.ac.cn) |
| 英文摘要 | Although Ti-V and Ti-Nb binary systems are subjected to many investigations, there remain some issues open for discussion, among which are the lattice parameter misfit and phase boundary between the non-equilibrium omega and beta phases. On the other hand, the experimental elastic moduli of the non-equilibrium phases are rarely reported due to the difficulty of the measurement. In this paper, the lattice parameters, bulk moduli and phase stabilities of alpha(alpha') , omega, and beta phases of binary Ti-V(Nb) alloys are investigated by the use of first-principles exact Muffin-Tin orbital method in combination with coherent potential approximation. It is shown that, with the increase in the V content, the lattice parameter a(alpha) of the alpha(alpha') phase decreases, whereas c(alpha)/a(alpha) slightly increases; a(omega) and c(omega)/a(omega) of the omega phase and alpha(beta) of the beta phase decrease. For Ti-Nb alloy, with increasing Nb content, a(alpha) keeps almost unchanged whereas c(alpha)/a(alpha) increases; a(omega) increases and c(omega)/a(omega) deceases; alpha(beta) does not change significantly. The lattice parameter misfit between the omega and beta phases increases with increasing V or Nb content. Both V and Nb harden the bulk modulus of Ti and improve the phase stability of the beta phase relative to the alpha(alpha') and omega phases. The theoretical predictions are compared in detail with the available experimental data. |
| WOS研究方向 | Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000271663400004 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.imr.ac.cn/handle/321006/99223]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Hu Qingmiao |
| 作者单位 | 1.Guangxi Univ, Key Lab New Proc Technol Nonferrous Met & Mat, Minist Educ, Nanning 530004, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao Yufei,Fu Yuechun,Hu Qingmiao,et al. FIRST-PRINCIPLES INVESTIGATIONS OF LATTICE PARAMETERS, BULK MODULI AND PHASE STABILITIES OF Ti1-xVx AND Ti1-xNbx ALLOYS[J]. ACTA METALLURGICA SINICA,2009,45(9):1042-1048. |
| APA | Zhao Yufei,Fu Yuechun,Hu Qingmiao,&Yang Rai.(2009).FIRST-PRINCIPLES INVESTIGATIONS OF LATTICE PARAMETERS, BULK MODULI AND PHASE STABILITIES OF Ti1-xVx AND Ti1-xNbx ALLOYS.ACTA METALLURGICA SINICA,45(9),1042-1048. |
| MLA | Zhao Yufei,et al."FIRST-PRINCIPLES INVESTIGATIONS OF LATTICE PARAMETERS, BULK MODULI AND PHASE STABILITIES OF Ti1-xVx AND Ti1-xNbx ALLOYS".ACTA METALLURGICA SINICA 45.9(2009):1042-1048. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。