Periodic ordering of clusters in a one-dimensional lattice model

被引:23
|
作者
Pekalski, J. [1 ]
Ciach, A. [1 ]
Almarza, N. G. [2 ]
机构
[1] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland
[2] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain
来源
JOURNAL OF CHEMICAL PHYSICS | 2013年 / 138卷 / 14期
关键词
critical points; equations of state; ground states; melting; Monte Carlo methods; phase diagrams; phase separation; SCF calculations; specific heat; COMPETING INTERACTIONS; FLUCTUATIONS; PHASE; SYSTEMS; STATE;
D O I
10.1063/1.4799264
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A generic lattice model for systems containing particles interacting with short-range attraction long-range repulsion (SALR) potential that can be solved exactly in one dimension is introduced. We assume attraction J1 between the first neighbors and repulsion J2 between the third neighbors. The ground state of the model shows existence of two homogeneous phases (gas and liquid) for J2/J1 < 1/3. In addition to the homogeneous phases, the third phase with periodically distributed clusters appears for J2/J1 > 1/3. Phase diagrams obtained in the self-consistent mean-field approximation for a range of values of J2/J1 show very rich behavior, including reentrant melting, and coexistence of two periodic phases (one with strong and the other one with weak order) terminated at a critical point. We present exact solutions for the equation of state as well as for the correlation function for characteristic values of J2/J1. Based on the exact results, for J2/J1 > 1/3 we predict pseudo-phase transitions to the ordered cluster phase indicated by a rapid change of density for a very narrow range of pressure, and by a very large correlation length for thermodynamic states where the periodic phase is stable in mean field. For 1/9 < J2/J1 < 1/3 the correlation function decays monotonically below certain temperature, whereas above this temperature exponentially damped oscillatory behavior is obtained. Thus, even though macroscopic phase separation is energetically favored and appears for weak repulsion at T = 0, local spatial inhomogeneities appear for finite T. Monte Carlo simulations in canonical ensemble show that specific heat has a maximum for low density rho that we associate with formation of living clusters, and if the repulsion is strong, another maximum for rho = 1/2. (C) 2013 American Institute of Physics.
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页数:14
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