Test of Some Statistical Approximations (Quasi Chemical, Cvm) in Bcc and Fcc Binary Alloys by Monte Carlo Simulation. Validity Range of the Clapp and Moss Approximation.

1982 ◽  
Vol 21 ◽  
Author(s):  
P. Cenedese ◽  
J.P. Gaspard
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Regular Solution ◽  
Binary Alloys ◽  
Regular Solution Model ◽  
Solution Model ◽  
Antiferromagnetic Coupling ◽  
Curved Space ◽  
Validity Range ◽  
Fcc Binary Alloys

ABSTRACTIn the framework of regular solution model, we test the validity of some usual approximations (QC, CVM) of entropy in (disordered) binary alloys by Monte Carlo simulation. The validity range of these approximations are explored both in alternant and nonalternant lattice with ferro- and antiferromagnetic coupling. The CVM tetrahedron approximation is also analysed on a structure containing only tetrahedra : the 120 polytope [8] in 3d curved space.

Monte-Carlo simulation of order–disorder kinetics in 2D and fcc binary alloys

2000 ◽  
Vol 17 (2-4) ◽  
pp. 324-330 ◽  
Author(s):  
A Kerrache ◽  
H Bouzara ◽  
M Zemirli ◽  
V Pierron-Bohnes ◽  
M.C Cadeville ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Binary Alloys ◽  
Fcc Binary Alloys

Extension of the Sub-regular Solution Model for Binary Alloys

Nature ◽  
1967 ◽  
Vol 213 (5076) ◽  
pp. 587-588 ◽  
Author(s):  
J. S. LLEWELYN LEACH
Keyword(s):  
Regular Solution ◽  
Binary Alloys ◽  
Regular Solution Model ◽  
Solution Model

PHASE DIAGRAM OF DOUBLE EXCHANGE MODEL WITH ANTIFERROMAGNETIC COUPLING FOR LOCALIZED t2g SPINS IN ONE DIMENSION REVISITED

2005 ◽  
Vol 19 (24) ◽  
pp. 3731-3743 ◽  
Author(s):  
Q. L. ZHANG
Keyword(s):  
Phase Diagram ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Large Scale ◽  
Double Exchange ◽  
Exchange Model ◽  
One Dimension ◽  
Antiferromagnetic Coupling ◽  
Single Orbit ◽  
Superexchange Coupling

The phase diagram of the single-orbit double exchange model for manganites with ferromagnetic Hund coupling between mobile eg electrons and spins of localized t2g electrons as well as antiferromagnetic superexchange coupling between t2g electrons is investigated with a large scale Monte Carlo simulation in one dimension. The phase boundary is determined based on the internal energy, the electron density and the structure factor. In particular, low-temperature properties at quarter filling are studied in detail.

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