Segregation behavior at MoW(001) alloy surfaces

The tight-binding Ising model has been used to determine equilibrium segregation profiles at the (001) surface of MoW alloys. The description of the thermodynamic properties of such alloy surfaces is based on a cluster expansion in terms of correlation functions. The expansion coefficients are known...

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Bibliographic Details
Published in:Solid state communications 1995-10, Vol.96 (4), p.177-182
Main Authors: Ouannasser, S., Dreyssé, H., Wille, L.T.
Format: Article
Language:English
Subjects:
Applied sciences
Condensed matter: structure, mechanical and thermal properties
Equations of state, phase equilibria, and phase transitions
Exact sciences and technology
Metals. Metallurgy
Physics
Solubility, segregation, and mixing
phase separation
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Summary:The tight-binding Ising model has been used to determine equilibrium segregation profiles at the (001) surface of MoW alloys. The description of the thermodynamic properties of such alloy surfaces is based on a cluster expansion in terms of correlation functions. The expansion coefficients are known as Effective Cluster Interactions and have been computed from their formal definition by means of the Direct Configurational Averaging technique. As observed experimentally strong Mo-segregation occurs at the surface, followed by a depletion of Mo in the second layer. This alloy displays very remarkable behavior: the concentration profile is found to be oscillatory whereas the bulk phase diagram of MoW exhibits phase separation.
ISSN:0038-1098
1879-2766
DOI:10.1016/0038-1098(95)00430-0