Abstract
We illustrate the use of Monte Carlo simulations in the study of order-disorder phenomena in metallic alloys by presenting detailed work on a fairly realistic lattice model for iron aluminum. The model has been constructed based on recent measurements of effective interaction parameters and includes a description of the magnetism of iron within a Heisenberg Hamiltonian. We show that it reproduces the bulk phase diagram in a qualitatively correct way. Then internal antiphase boundaries and free surfaces in the (100)-direction are studied. An interfacial roughening transition is predicted as well as critical broadening of the profiles as the bulk approaches a second order transition. Nonstoechiometry with respect to perfect bulk ordering is shown to induce interfacial enrichment and under certain circumstances an ordering surface field.
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References
L.M. Stocks and A. Gonis eds., Alloy phase stability, Kluwer Academic Publishers 1989
P. Haasen ed., Materials Science and Technology, vol. 5: Phase Transformations in Materials, VCH Verlagsgesellschaft, Weinheim, Germany 1991
J. Als-Nielsen in Phase Transitions and Critical Phenomena 5a, p 88, C. Domb and M.S. Green eds., Academic Press, New York 1976
L. Mailänder, H. Dosch, J. Peisl, R.L. Johnson, Phys. Rev. Lett. 64, 2527 (1990)
D. De Fontaine in Solid State Physics 34, p 73 H. Ehrenreich, F. Seitz and D. Turnbell eds., Academic Press, New York 1979
K. Binder in Festkörperprobleme (Advances in Solid State Physics) 26, p 133, P. Grosse ed., Vieweg, Braunschweig 1986
O. Kubaschewski in Iron — Binary Phase Diagrams, p 5, Springer Verlag, Berlin 1982
B. Dünweg, K. Binder, Phys. Rev. B 36, 6935 (1987)
V. Pierron-Bohnes, M.C. Cadeville, A. Finel, O. Schaerpf, J. Physique I1,247 (1991)
F. Schmid, K. Binder, J. Phys.: Condens. Matter 4, 3569 (1992)
F. Schmid, K. Binder, Phys. Rev. B 46, 13553 (1992)
F. Schmid, K. Binder, Phys. Rev. B 46, 13565 (1992)
F. Schmid, Z. Phys. B 91, 77 (1993)
P. Binder in Phase Transitions and Critical Phenomena 8, p 1, C. Domb and J.L. Lebowitz eds., Academic Press, London 1983
H.W. Diehl in Phase Transitions and Critical Phenomena 10, p 75, C. Domb and J.L. Lebowitz eds., Academic Press, London 1986
J.D. Weeks in Ordering in Strongly Fluctuating Condensed Matter Systems, p 293, T. Riste edt., Plenum Press, New York 1980
H. van Beijeren, I. Nolden in Structure and Dynamics of Surfaces II: Phenomena, Models and Methods, p 259, W. Schommers and P. von Blanckenhagen eds., Springer, Berlin-Heidelberg 1987
G. Forgacs, R. Lipowski, Th.M. Niewenhuizen in Phase Transitions and Critical Phenomena 14, p 136, C. Domb and J.L. Lebowitz eds., Academic Press, New York 1991
W.J. Shugard, J.D. Weeks, G.H. Gilmer, Phys. Rev. Lett. 31, 549 (1978)
J.D. Weeks, H.J. Leamy, G.H. Gilmer, K.A. Jackson, P. Bennema, Phys. Rev. Lett. 30, 601 (1978)
K. Binder, Phys. Rev. A 25, 1699 (1982)
E. Bürkner, D. Stauffer, Z. Phys. B 53, 241 (1983)
K.K. Mon, S. Wansleben, D.P. Landau, K. Binder, Phys. Rev. Lett. 60, 708 (1988); Phys. Rev. B 39, 7089 (1989)
K.K. Mon, D.P. Landau, D. Stauffer, Phys. Rev. B 42, 545 (1990)
R. Kikuchi, J.W. Cahn, Acta Metall. 27, 1337 (1979)
A. Finel, V. Mazauric, F. Ducastelle, Phys. Rev. Lett. 65, 1016 (1990)
W.C. Johnson and J.M. Blakely eds., Interfacial Segregation, American Society for Metals 1979
B. Widom in Phase Transitions and Critical Phenomena 2, p 79, C. Domb and M.S. Green eds., Academic Press, New York 1972
J.S. Rowlinson, B. Widom, Molecular Theory of Capillarity, Clarendon, Oxford 1982
J.M. Kosterlitz, J.D. Thouless, J. Phys. C 6, 1181 (1973)
S. Ma, Modern Theory of Critical Phenomena, Frontiers in Physics, Benjamin/Cummings Company 1976
B. Widom, J. Chem. Phys. 43, 3892 (1965)
W. Selke, Z. Phys. B 47, 335 (1982); Z. Phys. B 50, 113 (1983)
W. Selke, J. Yeomans, J. Phys. A 16, 2789 (1983)
F. Schmid, thesis 1991, unpublished result
H.W. Diehl, S. Dietrich, Phys. Rev. B 24, 2878 (1981); Z. Phys. B 50, 117 (1983)
K. Binder, D.P. Landau, Phys. Rev. Lett. 52, 318 (1984); Surf. Sci. 151, 409 (1985)
D.P. Landau, K. Binder, Phys. Rev. B 41, 4633 (1990)
D. Voges, E. Taglauer, H. Dosch, J. Peisl, Surf. Sci. 269–270, 1142 (1990)
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Schmid, F., Binder, K. (1994). Monte Carlo Simulations of Body Centered Cubic Alloys. In: Faulkner, J.S., Jordan, R.G. (eds) Metallic Alloys: Experimental and Theoretical Perspectives. NATO ASI Series, vol 256. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1092-1_29
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DOI: https://doi.org/10.1007/978-94-011-1092-1_29
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