
Accession Number : ADA136237
Title : Monte Carlo Study of the Phase Diagrams of Binary Alloys with FaceCentered Cubic Lattice Structure.
Descriptive Note : Interim technical rept.,
Corporate Author : RUTGERS  THE STATE UNIV NEW BRUNSWICK N J DEPT OF MATHEMATICS
Personal Author(s) : Binder,K ; Lebowitz,J L ; Phani,M K ; Kalos,M H
PDF Url : ADA136237
Report Date : Jan 1982
Pagination or Media Count : 42
Abstract : The authors describe the results of Monte Carlo computations of the coherent phase diagram (in the temperaturecomposition plane) of ordering binary alloys on a facecentered cubic lattice. Results on long and shortrange order parameters as well as ordering energies are also given. They consider the system with nearest neighbor interaction in the grandcanonical ensemble (equivalent to an Ising antiferromagnet in a magnetic field) as well as in the canonical ensemble (fixed composition. Results with nextnearest neighbor interaction are also given, and for both models a comparison with other available predictions is made, particularly with the clustervariation method. While the latter is found to be quite accurate at stoichiometric composition, it appears to do less well in the more general case. The tetrahedral approximation of the cluster variation method predicts a topology of the phase diagram, in the case of nearestneighbor interaction different from the computer simulations. Some consequences for the interpretation of the behavior of coppergold alloys are indicated. (Author)
Descriptors : *Monte Carlo method, *Computations, *Phase diagrams, *Binary alloys, Simple cubic lattices, Charts, Computerized simulation, Interactions, Magnetic fields, Copper alloys, Gold alloys, Stoichiometry
Subject Categories : Metallurgy and Metallography
Numerical Mathematics
Thermodynamics
Distribution Statement : APPROVED FOR PUBLIC RELEASE