Abstract
Phase stability properties of bcc based Fe-Cr alloys are examined in the framework of the first-principles KKR-CPA-GPM formalism and Monte Carlo simulations. For Fe-rich alloys, ordered configurations are found stable with respect to the random state of the alloy, but unstable with respect to the pure Fe and Cr metals. The results are compared with the ones obtained by using energy parameters extracted from experimental diffuse scattering data.
Similar content being viewed by others
References
O. Kubaschewski, Iron Binary Phase Diagrams (Springer, 1982) p. 67 and references therein.
I. Mirabeau, M. Hennion, and G. Parette, Phys. Rev. Lett. 53, 687 (1984).
K. Binder in Monte Carlo Methods in Statistical Physics, Topics in Current Physics, Vol. 7, K. Binder ed. Springer Verlag (1986).
J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica 128A, 334 (1984).
F. Ducastelle and F. Gautier, J. Phys. F 6, 2039 (1976).
P. E. A. Turchi, G. M. Stocks, W. H. Butler, D. M. Nicholson, and A. Gonis, Phys. Rev. B 37, 5982 (1988).
B. L. Gyürffy and G. M. Stocks, Phys. Rev. Lett. 50, 374 (1983).
F. Ducastelle, in Alloy Phase Stability, eds. A. Gonis and G. M. Stocks, NATO Advanced Study Institutes, Ser. E Vol. 163 (Kluver Academic, Dordrecht, 1989) p. 293, and references therein.
L. Reinhard, J. L. Robertson, S. C. Moss, G. E. Ice, P. Zschack, and C. J. Sparks, Phys. Rev. B. 45, 2662 (1992).
V. Gerold and J. Kern, Acta Metall. 35, 393 (1987).
A. Finel and F. Ducastelle, Mat. Res. Soc. Symp. Proc. 21, 293 (1984).
M. A. Krivoglaz in Theory of X-Ray and Thermal Neutron Scattering by Real Crystals, (Plenum, New York, 1969); P. C. Clapp and S. C. Moss, Phys. Rev. 171, 754 (1968).
J. L. Robertson, private communication.
K. Binder, Z. Phys. B45, 61 (1982).
R. O. Williams, Trans TMS-AIME, 212, 497 (1958).
S. M. Dubiel and G. Inden, Z. Metallkde. 79, 544 (1987).
Acknowledgments
The authors wish to thank M. Sluiter for numerous discussions. This work was performed under the auspices of the U. S. Department of Energy by the Lawrence Livermore National Laboratory under contract No. W-7405-ENG-48.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Reinhard, L., Turchi, P.E.A. Monte Carlo Simulations of Phase Transformations in Fe-Cr Alloys. MRS Online Proceedings Library 291, 407–412 (1992). https://doi.org/10.1557/PROC-291-407
Published:
Issue Date:
DOI: https://doi.org/10.1557/PROC-291-407