Semigrand Canonical Monte Carlo Simulation with Gibbs-duhem Integration Technique for Alloy Phase Diagrams
نویسندگان
چکیده
Formulation is given for the Gibbs-Duhem integration (GDI) method in the semigrand canonical (SGC) ensemble, in which the total number of particles N is fixed with the specified chemical potential differences between species ∆μ i (≡μ i -∆μ1;i =2,3,...). Demonstration of the SGC Monte Carlo simulation with the GDI technique is given for a pseudo-binary semiconductor alloy, In x Ga 1-x N.
منابع مشابه
Pii: S0378-3812(01)00650-1
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