The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys:A first-principles study

doi:10.1088/1674-1056/21/5/057105

Abstract The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys has been investigated using first-principles calculations. The site preference of Fe in TaRu alloys has been clarified for the first time, and the results show that Fe is predicted to occupy Ru sites. The addition of Fe increases the stability of the Ta₅₀Ru_50-xFe_x β phase, leading to a significant decrease in the β to β′ martensitic transformation temperature. In addition, the mechanism of the Fe alloying effect is explained on the basis of the electronic structure.

Keywords: shape memory alloys TaRu martensitic transformation electronic structure

Received: 13 December 2011
Revised: 27 April 2012
Accepted manuscript online:

PACS:	71.20.Lp	(Intermetallic compounds)
	81.30.Kf	(Martensitic transformations)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 50901026) and the China Postdoctoral Science Foundation (Grant Nos. 20100471084 and 201104418).

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Tan Chang-Long(谭昌龙), Tian Xiao-Hua (田晓华), and Cai Wei(蔡伟) The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys:A first-principles study 2012 Chin. Phys. B 21 057105

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The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys:A first-principles study

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