| First principles study of influence of alloying elements on TiAl: Lattice distortion |
| Y. Song; R. Yang; D. Li; W. T. Wu; Z. X. Guo
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| 1999
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| 发表期刊 | Journal of Materials Research
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| ISSN | 0884-2914
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| 卷号 | 14期号:7页码:2824-2829 |
| 摘要 | The influence of ternary additions Cr, Fe, Mn, Ni, Zr, Nb, Mo, Hf Ta, Si, Ga, Ge, In, and Sb, as well as the anti-site defects of both Ti and Al, on lattice parameters of TiAl were studied by the first principles electronic structure calculations with a discrete variational cluster method. The results of the calculation show that the effect of ternary additions on the distortion of TiAl lattice varies with the substitution behavior of the individual alloying element involved The. addition nf alloying elements in TiAl caused. a change in the electronic structure and the density of states of the system and results a change in the electronic structure and the density of states of the system and results in variation of the bond strength between the atoms. The total and partial density of states (DOS) of binary TiAl and of ternary TiAl-M, M = Cr, Zr, and Sb, etc., were comparatively examined. The relationship between the DOS and the bond strength is discussed. The present work suggests that the origin of the lattice distortion of the ternary TiAl-M systems lies in the variation of the electronic structure. |
| 部门归属 | chinese acad sci, state key lab corros & protect, inst corros & protect met, shenyang 110015, peoples r china. chinese acad sci, titanium alloy lab, inst met res, shenyang 110015, peoples r china. univ london queen mary & westfield coll, dept mat, london e1 4ns, england.;song, y (reprint author), chinese acad sci, state key lab corros & protect, inst corros & protect met, 62 wencui rd, shenyang 110015, peoples r china
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| 关键词 | Site Preference
Mechanical-properties
Ternary Additions
Mn
Substitutions
Room-temperature
Ductility
Phase
Nb
Cr
Aluminides
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| URL | 查看原文
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| WOS记录号 | WOS:000082550700018
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/37487
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| 专题 | 中国科学院金属研究所
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推荐引用方式
GB/T 7714 |
Y. Song,R. Yang,D. Li,et al. First principles study of influence of alloying elements on TiAl: Lattice distortion[J]. Journal of Materials Research,1999,14(7):2824-2829.
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| APA |
Y. Song,R. Yang,D. Li,W. T. Wu,&Z. X. Guo.(1999).First principles study of influence of alloying elements on TiAl: Lattice distortion.Journal of Materials Research,14(7),2824-2829.
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| MLA |
Y. Song,et al."First principles study of influence of alloying elements on TiAl: Lattice distortion".Journal of Materials Research 14.7(1999):2824-2829.
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