Monte Carlo calculation of free energy for a fcc lattice-gas model

Journal Article · Sun Jul 01 04:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.42.675· OSTI ID:6477246

Mon, K K ^[1]; Binder, K ^[2]

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1. Department of Physics and Astronomy, University of Georgia, Athens, GA (USA) Center for Simulational Physics, University of Georgia, Athens, GA (USA)
2. Institut fuer Physik, Universitaet Mainz, Mainz (West Germany)

A face-centered-cubic Ising lattice-gas model with nearest- and next-nearest-neighbor interactions is studied, and an accurate determination of the transition temperature for the discontinuous order-disorder transition is obtained. This model is of interest in the studies of phase diagrams for metallic alloys. The location of the transition was previously not known accurately, and its estimation has a number of applications. Very accurate absolute free-energy densities for the two coexisting phases have been obtained from a combination of the standard thermodynamic integration method and the method of sampling finite-size dependence. The latent-heat also is calculated with good precision.

• OSTI ID: 6477246
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:1; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

657000* -- Theoretical & Mathematical Physics
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CRYSTAL LATTICES
CRYSTAL MODELS
CRYSTAL STRUCTURE
CUBIC LATTICES
DIAGRAMS
ENERGY
FCC LATTICES
FREE ENERGY
ISING MODEL
MATHEMATICAL MODELS
MONTE CARLO METHOD
ORDER-DISORDER TRANSFORMATIONS
PARTICLE MODELS
PHASE DIAGRAMS
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
STATISTICAL MODELS
THERMODYNAMIC MODEL
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE