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Ordering Mechanism in Ni-Cr Alloys: Theory and Experiment

Published online by Cambridge University Press:  21 February 2011

P.E.A. Turchi ,
F.J. Pinski ,
R. H. Howell ,
A.L. Wachs ,
M.J. Fluss ,
D.D. Johnson ,
G.M. Stocks ,
D. M. Nicholson  and
W. Schweika
P.E.A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
F.J. Pinski
Affiliation:
Department of Physics, University of Cincinnati, Cincinnati, OH 45221
R. H. Howell
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
A.L. Wachs
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
M.J. Fluss
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
D.D. Johnson
Affiliation:
Theoretical Division, Sandia National Laboratories, Livermore, CA 94550
G.M. Stocks
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
D. M. Nicholson
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
W. Schweika
Affiliation:
IFF-KFA, GmbH, Postfach 1913, D-5170, Jülich, FRG
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Abstract

Recently, short range order (SRO) parameters have been extracted from the neutron diffuse scattering intensities on Ni-Cr alloys with 11 to 25 at. pct. chromium. These data were analyzed using inverse-Monte Carlo simulations to extract atomic interactions and the results suggested the existence of a well defined, flat sheet of Fermi surface normal to the [110] direction. In this paper, this suggestion is investigated with a series of calculations which are based on the first-principles Korringa-Kohn-Rostoker-coherent-potential-approximation (KKRCPA). We calculate the electronic structure and the Bloch spectral function at the Fermi energy. We then proceed to calculate the effective cluster interactions using the generalized perturbation method (GPM) and compare them with the above-mentioned experimentally deduced interactions. In addition, we present preliminary results of two-dimensional angular correlation of positron annihilation radiation (2D-ACPAR) measurements, which probe the fermiology of this alloy system. The positron experiments demonstrate the existence of well-defined features in the Fermi surface of Ni89Cr11 but our calculations still have not yet established the origin of SRO in this system.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 166: Symposium J – Neutron Scattering for Materials Science , 1989 , 231
Copyright
Copyright © Materials Research Society 1990

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References

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