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Effect of Alloying Elements on the Elastic Properties of γ-Ni and γ'-Ni3Al from First-principles Calculations

Published online by Cambridge University Press:  31 January 2011

Yunjiang Wang  and
Chongyu Wang
Yunjiang Wang
Affiliation:
[email protected], Tsinghua University, Department of Physics, Beijing, China
Chongyu Wang
Affiliation:
[email protected], Department of Physics, Tsinghua University, Beijing 100084, China, Beijing, China
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Abstract

The effect of alloying elements Ta, Mo, W, Cr, Re, Ru, Co, and Ir on the elastic properties of both γ-Ni and γ′-Ni3Al is studied by first-principles method. Results for lattice properties, elastic moduli and the ductile/brittle behaviors are all presented. Our calculated values agree well with the existing experimental observations. Results show all the additions decrease the lattice misfit between and γ′ phases. Different alloying elements are found to have different effect on the elastic moduli of γ-Ni. Whereas all the alloying elements slightly increase the moduli of γ′-Ni3Al expect Co. Both of the two phases are becoming more brittle with alloying elements, but Co is excepted. The electronic structures of γ′ phase alloyed with different elements are provided as example to elucidate the different strengthening mechanisms.

Keywords

alloyelastic propertieselectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1224: Symposia FF/GG – Mechanical Behavior at Small Scales — Experiments and Modeling , 2009 , 1224-FF05-31
Copyright
Copyright © Materials Research Society 2010

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References

[1] Pollock, T. M., and Tin, S., J. Propul. Power 22, 361 (2006).Google Scholar
[2] Sims, C. T., Superalloy II (Wiley, New York, 1987), pp. 97–131.Google Scholar
[3] Feng, Q., Nandy, T. K., Tin, S., and Pollock, T. M., Acta Mater. 51, 269 (2003).Google Scholar
[4] Mitchell, R. J., Preuss, M., Metall. Mater. Trans. A 38A, 615 (2007).Google Scholar
[5] Mughrabi, H., Tetzlaff, U., Adv. Eng. Mater. 2, 319 (2000).Google Scholar
[6] Schmidt, R., Feller-Kniepmeier, M., Scripta Metall. Mater. 29, 863 (1993).Google Scholar
[7] Šob, M., Friák, M., Legut, D., Fiala, J. and Vitek, V., Mater. Sci. Eng. A 387-389, 148 (2004).Google Scholar
[8] Ogata, S., Umeno, Y., and Kohyama, M., Modelling Simul. Mater. Eng. 17, 013001 (2009).Google Scholar
[9] Yao, Q., Xing, H. and Sun, J., Appl. Phys. Lett. 89, 161906 (2006).Google Scholar
[10] Mehl, M. J., Klein, B. M., and Papaconstantopoulos, D. A., in Intermetallic Compounds: Priciples and Practice, editored by Westbrook, J. H. and Fleisher, R. L. (Wiley, New York, 1994), Vol. 1. pp. 195–209.Google Scholar
[11] Zhang, R. F., Veprek, S., Argon, A. S., Appl. Phys. Lett. 91, 201914 (2007).Google Scholar
[12] Kresse, G., Hafner, J., Phys. Rev. B 48, 13115 (1993).Google Scholar
[13] Wang, Y., and Perdew, J. P., Phys. Rev. B 44, 13298 (1991).Google Scholar
[14] Kresse, G., Joubert, J., Phys. Rev. B 59, 1758 (1999).Google Scholar
[15] Murnaghan, F. D., Proc. Natl. Acad. Sci. U.S.A. 30, 244 (1944).Google Scholar
[16] Kittle, C., Introduction to solid state physics. New York: Wiley Intersecience, 1986.Google Scholar
[17] Yoo, M. H., Acta Metall. 35, 1559 (1987).Google Scholar
[18] Hill, R., Proc. Phys. Soc. London 65, 349 (1952).Google Scholar
[19] Grimvall, G., Thermophysical properties of materials (NorthHolland, Amsterdam, 1999).Google Scholar
[20] Pettifor, D. G., Solid St. Commun. 51, 31 (1984).Google Scholar
[21] Giamei, A., Anton, D. L., Met. Trans. A 16, 1985 (1997).Google Scholar
[22] Pugh, S. F., Philos. Mag. 45, 823 (1954).Google Scholar
[23] Xu, J. H., Oguchi, T. and Freeman, A. J., Phys. Rev. B 36, 4186 (1987).Google Scholar
[24] Sun, Z. M., Ahuja, R., Li, S., and Schneiderb, J. M., Appl. Phys. Lett. 83, 899 (2003).Google Scholar