Abstract
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.
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