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

Chang Long Tan; Xiao Hua Tian; Wei Cai

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

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

Chang Long Tan^*
, Xiao Hua Tian
, Wei Cai

^*Corresponding author for this work

School of Materials Science and Engineering

Harbin University of Science and Technology

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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 Ta ₅₀Ru _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.

Original language	English
Article number	057105
Journal	Chinese Physics B
Volume	21
Issue number	5
DOIs	https://doi.org/10.1088/1674-1056/21/5/057105
State	Published - May 2012

Keywords

TaRu
electronic structure
martensitic transformation
shape memory alloys

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10.1088/1674-1056/21/5/057105

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

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 Ta 50Ru 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 = "TaRu, electronic structure, martensitic transformation, shape memory alloys",

author = "Tan, \{Chang Long\} and Tian, \{Xiao Hua\} and Wei Cai",

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doi = "10.1088/1674-1056/21/5/057105",

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volume = "21",

journal = "Chinese Physics B",

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T1 - The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys

T2 - A first-principles study

AU - Tan, Chang Long

AU - Tian, Xiao Hua

AU - Cai, Wei

PY - 2012/5

Y1 - 2012/5

N2 - 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 Ta 50Ru 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.

AB - 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 Ta 50Ru 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.

KW - TaRu

KW - electronic structure

KW - martensitic transformation

KW - shape memory alloys

UR - https://www.scopus.com/pages/publications/84860739178

U2 - 10.1088/1674-1056/21/5/057105

DO - 10.1088/1674-1056/21/5/057105

M3 - 文章

AN - SCOPUS:84860739178

SN - 1674-1056

VL - 21

JO - Chinese Physics B

JF - Chinese Physics B

IS - 5

M1 - 057105

ER -

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

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Keywords

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