Jaleel Asweel Ahmed A, Mandal Dipanjan, Thomas Jetin E, Rajesh R
The Institute of Mathematical Sciences, CIT Campus, Taramani, Chennai 600113, India.
Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India.
Phys Rev E. 2022 Oct;106(4-1):044136. doi: 10.1103/PhysRevE.106.044136.
Hard-core lattice-gas models are minimal models to study entropy-driven phase transitions. In the k-nearest-neighbor 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.
硬核晶格气体模型是研究熵驱动相变的最小模型。在k近邻晶格气体中,一个粒子会排除直至第k个次近邻的所有格点,使其不被另一个粒子占据。随着k从1开始增大,它从最近邻排斥外推到硬球气体。在本文中,我们使用包含团簇移动的平直方图算法,研究了三角形晶格上k≤7的该模型。早期研究集中在k≤3。我们表明,对于4≤k≤7,系统经历从低密度流体相到高密度亚晶格有序相的单一相变。利用配分函数零点和熵的非凸性性质,我们表明这些相变是不连续的。精确确定了临界化学势、共存密度和临界压力。