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Bonding-property relationships in intermetallic alloys

Published online by Cambridge University Press:  31 January 2011

M.E. Eberhart
Affiliation:
Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado 80401
D.P. Clougherty
Affiliation:
Department of Physics, University of Vermont, Burlington, Vermont 05405–0125
J.M. MacLaren
Affiliation:
Department of Physics, Tulane University, New Orleans, Louisiana 70118
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Abstract

A definition for structure of atomic scale systems is introduced which extends the typical crystallographic description to include elements of the total charge density. We argue that the mechanical properties of intermetallic alloys are related to this extended structure. These relationships have their origin in the nature of the charge redistribution accompanying strain. The direction of this charge redistribution is determined solely by the extended structure, while its magnitude can be correlated with a quantification of this extended structure. We demonstrate these facts by determining the extended structure and nature of the charge redistribution resulting from uniaxial strain for two alloys with the L10 structure: CuAu and TiAl. While these alloys share the same crystallographic structure, their extended structures are different, with CuAu possessing the same extended structure as the allotropic fcc metals while TiAl does not. These different extended structures give rise to different charge redistributions, which are argued to be related to the intrinsically ductile behavior of CuAu and the tendency for TiAl to fail transgranularly.

Type
Articles
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

1Vvedensky, D.D. and Eberhart, M.E., Philos. Mag. Lett. 1 (1988).Google Scholar
2Eberhart, M.E. and Vvedensky, D.D., Phys. Rev. Lett. 58, 61 (1987).CrossRefGoogle Scholar
3Hume-Rothery, J., J. Inst. Metals 35, 295 (1926).Google Scholar
4Pettifor, D. G., Solid State Commun. 51, 31 (1984).CrossRefGoogle Scholar
5Pettifor, D. G. and Podloucky, R., Phys. Rev. Lett. 53, 1080 (1984).CrossRefGoogle Scholar
6Bader, R. F. W. and Preston, H. J. T., Int. J. Quantum Chem. 3, 327 (1969).CrossRefGoogle Scholar
7Bader, R.F.W., Beddall, P.M., and Peslak, J. Jr., J. Chem. Phys. 28, 557 (1973).Google Scholar
8Runtz, G.R., Bader, R.F.W., and Messier, R.R., Can. J. Chem. 55, 3040 (1977).CrossRefGoogle Scholar
9Bader, R. F. W., Nguyen-Dang, T. T., and Tal, Y., Rep. Prog. Phys. 44, 893 (1981).CrossRefGoogle Scholar
10Bader, R.F.W. and MacDougall, P.J., J. Am. Chem. Soc. 107, 6788 (1985).CrossRefGoogle Scholar
11Eberhart, M. E., Donovan, M. M., MacLaren, J. M., and Clougherty, D. P., Prog. Surf. Sci. 36, 1 (1991).CrossRefGoogle Scholar
12Pauling, L., J. Am. Chem. Soc. 51, 1010 (1929).Google Scholar
13Ashby, M. F., Spaepen, F., and Williams, S., Acta Metall. 26, 1647 (1978).Google Scholar
14MacLaren, J. M., Crampin, S., Vvedensky, D. D., and Pendry, J. B., Phys. Rev. B 40, 12164 (1989).Google Scholar
15See, for example, Kohn, W. and Vashista, P., in Theory of the Inhomogeneous Electron Gas, March, N. H. and Lundqvist, S., eds.Google Scholar
16Hellmann, H., Einruhrung in die Quantumchemie, Section 54 (1937)Google Scholar
Feynman, R. P., Phys. Rev. 56, 340 (1939).CrossRefGoogle Scholar
17The atomic units for curvature are electronsbohr5. This is a measure of bond directionality, which we will designate as a Hecker (Hk).Google Scholar