We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem. Phys. 151, 104702 (2019)], it was claimed that the lattice gas with third nearest neighbor exclusion undergoes two phase transitions with increasing density, with the phase at intermediate densities exhibiting hexatic order with continuously varying exponents. Though a hexatic phase is expected when the exclusion range is large, it has not been seen earlier in hard core lattice gases with short range exclusion. In this paper, by numerically determining the entropies for all densities, we show that there is only a single phase transition in the system between a low-density fluid phase and a high-density ordered sublattice phase, and that a hexatic phase is absent. The transition is shown to be first order in nature and the critical parameters are determined accurately.
We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of states of hardcore lattice gases. We show that the algorithm is able to efficiently sample low entropy states that are usually difficult to access, even when the excluded volume per particle is large. The algorithm is based on simultaneously evaporating all the particles in a strip and reoccupying these sites with a new appropriately chosen configuration. We implement the algorithm for the particular case of the hard-core lattice gas in which the first k next-nearest neighbors of a particle are excluded from being occupied. It is shown that the algorithm is able to reproduce the known results for k = 1, 2, 3 both on the square and cubic lattices. We also show that, in comparison, the corresponding flat histogram algorithms with either local moves or unbiased cluster moves are less accurate and do not converge as the system size increases.
Hard-core lattice-gas models are minimal models to study entropy-driven phase transitions. In the k-nearestneighbor lattice gas, a particle excludes all sites up to the kth next-nearest neighbors from being occupied by another particle. As k increases from one, it extrapolates from nearest-neighbor exclusion to the hard-sphere gas. In this paper we study the model on the triangular lattice for k 7 using a flat histogram algorithm that includes cluster moves. Earlier studies focused on k 3. We show that for 4 k 7, the system undergoes a single phase transition from a low-density fluid phase to a high-density sublattice-ordered phase. Using partition function zeros and nonconvexity properties of the entropy, we show that the transitions are discontinuous. The critical chemical potential, coexistence densities, and critical pressure are determined accurately.
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