Department of Physics, Indian Institute of Technology, Bombay, Powai, Mumbai-400076, India.
The Institute of Mathematical Sciences, CIT Campus, Taramani, Chennai-600113, India.
Phys Rev E. 2018 Feb;97(2-1):022108. doi: 10.1103/PhysRevE.97.022108.
It is known from grand canonical simulations of a system of hard rods on two-dimensional lattices that an orientationally ordered nematic phase exists only when the length of the rods is at least seven. However, a recent microcanonical simulation with diffusion kinetics, conserving both total density and zero nematic order, reported the existence of a nematically phase-segregated steady state with interfaces in the diagonal direction for rods of length six [Phys. Rev. E 95, 052130 (2017)2470-004510.1103/PhysRevE.95.052130], violating the equivalence of different ensembles for systems in equilibrium. We resolve this inconsistency by demonstrating that the kinetics violate detailed balance condition and drives the system to a nonequilibrium steady state. By implementing diffusion kinetics that drive the system to equilibrium, even within this constrained ensemble, we recover earlier results showing phase segregation only for rods of length greater than or equal to seven. Furthermore, in contrast to the nonequilibrium steady state, the interface has no preferred orientational direction. In addition, by implementing different nonequilibrium kinetics, we show that the interface between the phase segregated states can lie in different directions depending on the choice of kinetics.
从二维格点上硬棒的巨正则系综模拟可知,只有当棒的长度至少为 7 时,才存在各向有序的向列相。然而,最近一项具有扩散动力学的微正则模拟,同时保持总密度和零向列序守恒,报道了在长度为 6 的棒的对角方向存在具有界面的向列相分离稳态[Phys. Rev. E 95, 052130 (2017)2470-004510.1103/PhysRevE.95.052130],这违反了平衡系统中不同系综的等价性。我们通过证明动力学违反了详细平衡条件并将系统驱动到非平衡稳态来解决这一不一致性。通过实施驱动系统达到平衡的扩散动力学,即使在这个受限的系综中,我们也恢复了早期的结果,表明只有长度大于或等于 7 的棒才会发生相分离。此外,与非平衡稳态相比,界面没有优先的取向方向。此外,通过实施不同的非平衡动力学,我们表明相分离态之间的界面可以根据动力学的选择处于不同的方向。