论文标题

三角形晶格上硬核格子气中的冷冻相过渡,排除在第二名最新的邻居中

The freezing phase transition in hard core lattice gases on triangular lattice with exclusion up to seventh next-nearest neighbor

论文作者

Jaleel, Asweel Ahmed A, Mandal, Dipanjan, Thomas, Jetin E., Rajesh, R.

论文摘要

硬核晶格气体模型是研究熵驱动相变的最小模型。在$ k $ -nn晶格气体中,一个粒子将最高$ k $的所有站点排除在下一个最新的邻居中被另一个粒子占据。随着$ k $的增加,它会从最近的邻居排除到硬球气体。在本文中,我们使用包含群集移动的平坦直方图算法研究了$ k \ leq 7 $的三角晶格的模型。较早的研究集中在$ k \ leq 3 $上。我们表明,以$ 4 \ leq k \ leq 7 $,该系统从低密度流体相位到高密度的Sublattice订购相。使用熵的分区函数零和非凸性特性,我们表明过渡是不连续的。准确确定关键的化学潜力,共存密度和临界压力。

Hard core lattice gas models are minimal models to study entropy driven phase transitions. In the $k$-NN lattice gas, a particle excludes all sites upto the $k$-th 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 $k\leq 7$ using a flat histogram algorithm that includes cluster moves. Earlier studies had focused on $k\leq 3$. We show that for $4\leq k\leq 7$, 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 non-convexity 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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