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A First-Principles Study of Short Range Order in Cu-Zn

  • M. Sluiter (a1) (a2), P.E.A. Turchi (a2), D.D. Johnson (a3), F.J. Pinski (a4), D.M. Nicholson (a5) and G.M. Stocks (a5)...

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Recently, measurements of short-range order (SRO) diffuse neutron scattering intensity have been performed on quenched Cu-Zn alloys with 22.4 to 31.1 atomic percent (a/o) Zn, and pair interactions were obtained by Inverse Monte Carlo simulation [1]. These results are compared to SRO intensities and effective pair interactions obtained from first-principles electronic structure calculations. The theoretical SRO intensities were calculated with the Cluster Variation Method (CVM) in the tetrahedron-octahedron approximation with first-principles pair interactions as input. More generally, phase stability in the Cu-Zn alloy system is discussed, using ab-initio energetic properties.

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1 Reinhard, L., Schoenfeld, B., Kostorz, G., and Buehrer, W., this symposium, and Reinhard, L., Ph.D. Thesis ETH, unpublished, Zurich, Switzerland (1989).
2 Hume-Rothery, W., Reynolds, P.W., and Raynor, G.V., J. Inst. Metals 66, 191 (1940)
3 Gyorffy, B.L. and Stocks, G.M., Phys. Rev. Lett. 50, 374 (1983).
4 Gonis, A., Zhang, X.G., Freeman, A.J., Turchi, P., Stocks, G.M., and Nicholson, D.M., Phys. Rev. B 36, 4630 (1987).
5 Ducastelle, F. and Gautier, F., J. Phys. F 6, 2039 (1976).
6 Turchi, P.E.A., Stocks, G.M., Butler, W.H., Nicholson, D.M., and Gonis, A., Phys. Rev. B 37, 5982 (1988).
7 Bieber, A. and Gautier, F., Acta Metall. 34, 2291 (1986).
8 Turchi, P.E.A., Sluiter, M., and Fontaine, D. de, Phys. Rev. B 36, 3161 (1987).
9 Sigh, C., Kosugi, M., and Sanchez, J.M., Phys. Rev. Lett. 57, 253 (1986).
10 Sluiter, M., Turchi, P., Zezhong, Fu, and Fontaine, D. de, Phys. Rev. Lett. 60, 716 (1988). M. Sluiter, Ph.D. Thesis, unpublished, University of California, Berkeley (1988).
11 Bieber, A. and Gautier, F., J. Phys. Soc. Jap. 53, 2061 (1984).
12 Spencer, P.J., Calphad 10, 175 (1986).
13 Ahlers, M., Prog. Mat. Sci. 30, 135 (1986).
14 Inden, G., Z. Metallkunde 66, 648 (1975).
15 Sluiter, M. and Turchi, P.E.A., to be published.
16 Sanchez, J. M., Physica 111A, 200 (1982).
17 Finel, A., These de doctorat d'Etat, unpublished, University Pierre et Marie Curie, 18 Paris (1987).
19 Mohri, T., Sanchez, J.M., and Fontaine, D. de, Acta Metall. 33, 1463 (1985). J. Kanamori and Y. Kakehashi, J. Phys. (Paris) 38, C7–274 (1977).

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A First-Principles Study of Short Range Order in Cu-Zn

  • M. Sluiter (a1) (a2), P.E.A. Turchi (a2), D.D. Johnson (a3), F.J. Pinski (a4), D.M. Nicholson (a5) and G.M. Stocks (a5)...

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