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J. Mater. Sci. Technol. 2009, 25(02) 215-218 DOI:     ISSN: 1005-0302 CN: 21-1315/TG
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Keywords
NiTi
NiAl
Elastic constant
First-principle calculation
Authors
Jianmin Lu
Qingmiao Hu
Rui Yang
PubMed
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A Comparative Study of Elastic Constants of NiTi and NiAl Alloys from First-Principle Calculations

Jianmin Lu†, Qingmiao Hu and Rui Yang

Abstract：

To investigate the origin of the strong dependence of martensitic transformation temperature on composition, the elastic properties of high temperature B2 phases of both NiTi and NiAl were calculated by a first-principle method, the exact-muffin orbital method within coherent potential approximation. In the composition range of 50-56 at. pct Ni of NiTi and 60-70 at. pct Ni of NiAl in which martensitic transformation occurs, non-basal-plane shear modulus c44 increases with increasing Ni content, while basal-plane shear modulus c′ decreases. In the above composition ranges however the transformation temperature of NiAl increases with increasing Ni content while that of NiTi decreases from experimental observation. The softening of c′ is experimentally observed only in NiAl, and the decrease of c′ with increasing Ni content is responsible for the increase of transformation temperature. The result of the present work demonstrates that, besides c′, c44 also influences the martensitic transformation of NiTi and plays quite important a role.

Keywords： NiTi   NiAl   Elastic constant   First-principle calculation  
Received 2007-11-02 Revised 2007-12-27 Online: 2009-10-10 
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Corresponding Authors: Jianmin Lu
Email: jmlv@imr.ac.cn
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References：
[1] X. Ren and K. Otsuka: Scripta Mater, 1998, 38, 1669.
[2]C. Zener: Phys. Rev., 1947, 71, 846.
[3] L. Vitos, I.A. Abrikosov and B. Johansson: Phys. Rev. Lett, 2001, 87, 156401.
[4]L. Vitos, P.A. Korzhavyi and B. Johansson: Nat. Mater., 2002, 2, 28.
[5] L. Vitos, P.A. Korzhavyi and B. Johansson: Phys. Rev. Lett, 2002, 88, 155501.
[6] A. Taga, L. Vitos, B. Johansson and G. Grimvall: Phys. Rev. B, 2005, 71, 014201.
[7] J.M. Lu, Q.M. Hu, L. Wang, Y.J. Li, D.S. Xu and R. Yang: Phys. Rev. B, 2007, 75, 094108.
[8] J.P. Perdew, K. Burke and M. Ernzerhof: Phys. Rev. Lett, 1996, 77, 3865.
[9] M.D. Segall, P.L.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark and M.C. Payne: J. Phys.- Condens. Mat, 2002, 14, 2717.
[10] Y.Y. Ye, C.T. Chan and K.M. Ho: Phys. Rev. B, 1997, 56, 3678.
[11]O. Mercier, K.N. Melton, G. Gremaud and J. Hagi: J. Appl. Phys., 1980, 51, 11319.
[12]V.N. Khachin, S.A. Muslov, V.G. Pushi and Y.I. Chumlyakov: Sov. Phys. Dokl., 1987, 32, 606.
[13] T.M. Brill, S. Mittelbach, W. Assmus, M. MÄullner and B. LÄuthi: J. Phys.-Condens. Mat, 1991, 3, 9621.
[14] M. Cerny, J. Pokluda and P. Sandera: Mater. Sci. Eng. A, 2004, 387-389, 923.
[15] Y. Wang, Z.K. Liu and L.Q. Chen: Acta Mater, 2004, 52, 2665.
[16]R.J. Wasilewski: Trans. TMS AIME, 1966, 236, 455.
[17]P. Villas and L. Calvert: Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd edn, ASM International, Materials Park, OH, 1991.
[18] K. Ryzman, Z. Moser, R.E. Watson and M. Weinert: J. Phase Equilib, 1998, 19, 106.
[19]T.B. Massalski, H. Okamoto, P.R. Subarmanian and L. Kacprzak: Binary alloy phase diagrams, Vol. 3, 2nd edn, ASM International, Materials Park, OH, 1990.
[20]J.E. Hanlon, S.R. Butler and R.J. Wasilewski: Trans. AIME, 1967, 239, 1323.
[21]I.I. Kornilov, Y.V. Kachur and O.K. Belousov: Fizika. Metall., 1971, 32, 420.
[22] S. Mayazaki, K. Otsuka and Y. Suzuki: Scripta Metall, 1981, 15, 287.
[23] K.N. Melton and O. Mercier: Acta Metall, 1981, 29, 393.
[24] S. Mayazaki and K. Otsuka: Metall. Trans, 1986, 17, 53.
[25] M. Nishida, C.M. Wayman and T. Honma: Metall. Trans. A, 1986, 17, 1505.
[26]S. Rosen and J.A. Geobel: Trans. TMS-AIME, 1968, 242, 722.
[27] Y.K. Au and C.M. Wayman: Scripta Metall, 1972, 6, 1209.
[28] K. Enami, J. Hasunuma, A. Nagasawa and S. Nenno: Scripta Metall, 1976, 10, 879.
[29] X. Ren, N. Miura, J. Zhang, K. Otsuka, T. Suzuki, K. Tanaka, Yu.I. Chumlyakov and M. Asai: Mater. Sci. Eng. A, 2001, 312, 196.
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