Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

doi:10.1088/1674-1056/19/3/037101

中国物理B ›› 2010, Vol. 19 ›› Issue (3): 37101-037101.doi: 10.1088/1674-1056/19/3/037101

Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

谭昌龙¹, 田晓华¹, 蔡伟²

(1)College of Applied Science, Harbin University of Science and Technology, Harbin 150080, China; (2)School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China

收稿日期:2009-04-22 修回日期:2009-09-15 出版日期:2010-03-15 发布日期:2010-03-15
基金资助:
Project supported by the Youth Top-notch Innovative Talents Program of Harbin University of Science and Technology.

Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

Tan Chang-Long(谭昌龙)^a)†, Cai Wei(蔡伟)^b), and Tian Xiao-Hua(田晓华)^a)

^a College of Applied Science, Harbin University of Science and Technology, Harbin 150080, China; ^b School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China

Received:2009-04-22 Revised:2009-09-15 Online:2010-03-15 Published:2010-03-15
Supported by:
Project supported by the Youth Top-notch Innovative Talents Program of Harbin University of Science and Technology.

摘要/Abstract

摘要： The effect of Nb content on the martensitic transformation of NbRu high-temperature shape memory alloys is investigated by experiments and first-principles calculations. We calculate the lattice parameters, density of states, charge density, and heats of formation of Nb_50+xRu_50-x β phase. The results show that an increase in Nb content increases the stability of Nb_50+xRu_50-x β phase, leading to a significant decrease of the β to β' martensitic transformation temperature. In addition, the mechanism of the effects of Nb content on phase stability and martensitic transformation temperature is studied on the basis of electronic structure.

Abstract: The effect of Nb content on the martensitic transformation of NbRu high-temperature shape memory alloys is investigated by experiments and first-principles calculations. We calculate the lattice parameters, density of states, charge density, and heats of formation of Nb_50+xRu_50-x $\beta$ phase. The results show that an increase in Nb content increases the stability of Nb_50+xRu_50-x $\beta$ phase, leading to a significant decrease of the $\beta$ to $\beta'$ martensitic transformation temperature. In addition, the mechanism of the effects of Nb content on phase stability and martensitic transformation temperature is studied on the basis of electronic structure.

Key words: high-temperature shape memory alloy, NbRu, electronic structure, martensitic transformation

中图分类号: (Martensitic transformations)

81.30.Kf

71.20.Be (Transition metals and alloys) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 61.66.Dk (Alloys ) 82.60.Cx (Enthalpies of combustion, reaction, and formation)

谭昌龙, 蔡伟, 田晓华. Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys[J]. 中国物理B, 2010, 19(3): 37101-037101.

Tan Chang-Long(谭昌龙), Cai Wei(蔡伟), and Tian Xiao-Hua(田晓华). Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys[J]. Chin. Phys. B, 2010, 19(3): 37101-037101.

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Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

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