S. Sengupta et al., PHASE-DIAGRAM OF A MODEL ANTICLUSTERING BINARY MIXTURE IN 2 DIMENSIONS - A SEMI-GRAND-CANONICAL MONTE-CARLO STUDY, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 49(2), 1994, pp. 1468-1477
The temperature-density phase diagram of a model binary mixture in two
-dimensions is investigated using a semi-grand-canonical Monte Carlo s
imulation scheme which allows for exchange between the two species whi
le keeping the total number of atoms fixed. The gas-liquid and the gas
-solid regions of the phase diagram are mapped out using the efficient
block analysis method incorporating finite-size scaling of the variou
s coexisting densities. An ordered square lattice structure is seen to
be stable at low temperatures. Interesting short-range ordering pheno
mena resulting in a ''disorder line'' in the fluid phase are also anal
yzed and compared with results from liquid-state integral equation the
ories.