Abstract
Current sophisticated electronic structure simulations are at the forefront of understanding and predicting a variety of materials properties of intermetallic compounds. Several examples are given here that illustrate how first principles total energy local density methods have addressed the problems of (i) phase stability and the effect of ternary additions, (ii) anti-phase boundaries (APB’s) in B2 NiAl, FeAl and RuAl aluminides and other faults in determining their structural and bonding character. A key objective has been to attempt to understand, at the electronic level, fundamental quantities that may be related to the crucial ductility issue in high temperature intermetallics. Differences between observed ductility properties of related systems may relate to their differing electronic and bonding properties, particularly the nature of p-d hybridization and the directional charge distributions of the states near the Fermi energy.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Lipsitt, H. A. (1986), in S. M. Allen, R. M. Pelloux and R. Widmer (eds.), Properties of Advanced High Temperature Alloys, American Society of Metals, Metal Park, OH, pp. 157 Kumar, K. S. (1990), Inter. Mater. Rev 35, 293.
Fine, M. E. (1975), Metall. Trans. A6, 625 Kubel, E. J. (1986), Adv. Mater. Pro. Metal Prog. 130, 43.
Colgan, E. G. (1990), Mater. Sci. Reports 5, 1.
Pearson, W. B. (1967), A Handbook of Lattice Spacing and Structures of Metals and Alloys Vol.2, Pergamon, Oxford.
Pearson, W. B. (1967), in W. B. Pearson (ed.), Structure Reports, International Union of Crystallography, Utrecht 32A, pp. 14.
Xu, J.-h. and Freeman, A. J. (1989), Phys. Rev. B40, 11927
Xu, J.-h. and Freeman, A. J. (1991), J. Mater. Res. 6, 1188.
Maeland, A. J. and Narasimhan, D. (1989), in High-Temperature Ordered Intermetallic Alloys III, Materias Research Society, Pittsburgh, PA, pp. 723.
Zedalis, M. S. (1986), Ph.D. thesis, Northwestern University
Chen, Y. N., Fine, M. E., Weertman, J. R. and Lewis, R. E. (1987), Scripta Metall. 21, 1003.
Subramanian, P. R. and Simmons, J. P. (1991), Scripta Metall. 25, 231.
Pasturel, A., Colinet, C. and Hicter, P. (1985), Physica B+C 132, 177.
Hoffmann, R. (1988), Rev. Mod. Phys. 60, 601.
Sinha, A. K. (1969), Trans. Metall. Soc. AIME 245, 911.
Liu, C. T. and Inouye, H. (1979), Metall. Trans. A10, 1515.
Lin, W., Xu, J.-h. and Freeman, A. J. (1991), in High-Temperature Ordered Intermetallic Alloys IV, Materias Research Society, Pittsburgh, PA, pp. 131.
Lin, W., Xu, J.-h. and Freeman,A. J. (dy1991), to appear in Phys. Rev. B.
Liu, C. T. (1989), in G. M. Stocks and A. Gonis (eds.), Alloy Phase Stability, Kluwer Academic, Norwell, Massachusetts, pp. 7.
Mazdiyasni, S., Miracle, D. B., Dimiduk, D. M., Mendiratta, M. G. and Subramanian, P. R. (1989), Scripta Metall. 23, 327.
Hong, T. and Freeman, A. J. (1991), J. Mater. Res. 6, 330.
Hong, T., Watson-Yang, T. J., Freeman, A. J. and Xu, J.-h. (1990), Phys. Rev. B41, 12462.
Ball, A. and Smallman, R. E. (1966), Acta Metall. 14, 1349; (1968) ibid. 16, 233.
Stephens, J. R. (1987), in High-Temperature Ordered Intermetallic Alloys, Materias Research Society, Pittsburgh, PA, pp. 381; and references therein.
Vedula, K. and Stephens, J. R. (1987), in High-Temperature Ordered Intermetallic Alloys II, Materias Research Society, Pittsburgh, PA, pp. 381; and references therein.
Baker, I. and Munroe, P. R. (1989), in High Temperature Aluminides and Intermetallics, Metallurgical Society of AIME, Warrendale, PA, pp. 425.
Fleischer, R. L., Dimiduk, D. M. and Lipsitt, H. A. (1989), Ann. Rev. Mater. Sci. 19, 231; and references therein.
Fleischer, R. L., Field, R. D. and Briant, C. L. (1991), Metall. Trans. A22, 403.
von Mises, R. (1928), Z. Angew. Math. Mech. 8, 161.
Yamagata, T. and Yoshida, H. (1973), Mater. Sci. and Eng. 12, 95.
Dimiduk, D. M. and Miracle, D. B. (1989), in High-Temperature Ordered Intermetallic Alloys III, Materias Research Society, Pittsburgh, PA, pp. 349.
Cooper, M. J. (1963), Phil. Mag. 89, 811.
Hultgren, R., Desai, P. D., Hawkings, D. T., Gleiser, M. and Kelley, K. K. (1973), Selected Values of the Thermodynamic Properties of Binary Alloys, American Society for Metals, Metals Park, OH.
Yoo, M. H., Takasuga, T., Hanada, S. and Izumi, O. (1990), Mater. Trans. JIM 31, 435.
Marcinkowski, M. J. (1974), in Treatise on Materials Science and Technology, Academic Press, New York,pp.333.
Noebe, R. D., Bowman, R. R., Kim, J. T., Larsen, M. and Gibala, R. (1989), in High Temperature Aluminides and Intermetallics, Metallurgical Society of AIME, Warrendale, PA, pp. 271.
Hirth, J. P. and Lothe, J. (dy1982), Theory of Dislocations, 2nd ed., John Wiley & Sons, New York.
Murr, L. E. (1975), Interfacial Phenomena in Metals and Alloys, Addison Wesley, New York.
Xu, J.-h., Lin, W. and Freeman, A. J. (1991), Phys. Rev. B43, 2018.
Maclaren, J. M., Crampin, S., Vvedensky, D. D. and Eberhart, M. E. (1989), Phys. Rev. Lett. 63, 2586.
Simon, J. P. (1979), J. Phys. F9, 1425.
Reed-Hill, R. E. (1973), in Physical Metallurgy Principles, 2nd ed., D. Van Norstrand, New York, pp. 892.
Smallman, R. E. and Dobson, P. S. (1970), Metal. Trans. 1, 2383.
Freeman, A. J., Hong, T. and Xu, J.-h. (1989), in V. Vitek and D. J. Srolovitz (eds.), Atomic Simulation of Materials, Plenum, New York, pp. 41.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1992 Springer Science+Business Media Dordrecht
About this chapter
Cite this chapter
Freeman, A.J., Xu, JH., Hong, T., Lin, W. (1992). Phase Stability, and Cohesive, Electronic and Mechanical Properties of Intermetallic Compounds. In: Liu, C.T., Cahn, R.W., Sauthoff, G. (eds) Ordered Intermetallics — Physical Metallurgy and Mechanical Behaviour. NATO ASI Series, vol 213. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2534-5_1
Download citation
DOI: https://doi.org/10.1007/978-94-011-2534-5_1
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-5119-4
Online ISBN: 978-94-011-2534-5
eBook Packages: Springer Book Archive