Martensitic transformation of TiNiPd high-temperature shape memory alloys: A first-principles study |
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Authors: | Changlong Tan Xiaohua Tian |
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Institution: | a Department of Applied Physics, Harbin University of Science and Technology, Harbin 150080, PR China b School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, PR China |
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Abstract: | Heat of formation, elastic property and electronic structure of TiNiPd high-temperature shape memory alloys have been investigated by first-principles calculations using the pseudopotentials plane-wave method. The results show that the heat of formation difference between austenite and martensite plays an important role in the martensitic transformation. The effect of Pd content on the martensitic transformation temperature and transformation type is clarified based on the elastic constants of the B2 phases. High martensitic transformation temperature can be attributed to a low shear resistance C′. Furthermore, the mechanism of the effect of Pd addition on elastic constants is explained on the basis of the electronic structure. |
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Keywords: | 71 20 Be 62 20 Dc 81 30 Kf |
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