Frydel Derek, Rice Stuart A
Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Dec;68(6 Pt 1):061405. doi: 10.1103/PhysRevE.68.061405. Epub 2003 Dec 18.
We report the results of simulations of the phase diagrams of a quasi-two-dimensional (Q2D) colloid assembly and of a two-dimensional (2D) colloid assembly which have the same colloid-colloid interaction. That interaction is the same as used in the study reported by Zangi and Rice [Phys. Rev. E 58, 7529 (1998)]. Among the goals of the work reported are elucidation of the influence of small amplitude out-of-plane motion on the phase diagram of a system and determination of the effect of that motion on the role of a hexatic phase in the melting process. Both of the systems we have studied undergo a first-order solid I-solid II and solid II-solid III isostructural transition induced by the attractive and repulsive components of the interaction, respectively. Introduction of the out-of-plane motion shifts the low density portion of the phase boundaries involving the solid II phase. The liquid-solid I coexistence line is nearly the same for the two systems. The solid II-solid III transition is shifted to lower temperature and shifted to higher density in the quasi-two-dimensional system. We further use the simulations to calculate the elastic constants, which can be used to predict the location of the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) melting transition. For the Q2D system we find that the first-order melting transition preempts the KTHNY transition for the reduced temperatures T()=1.00, 0.60, and 0.50. For the 2D system, when T()=0.60, the KTHNY transition barely preempts the first-order melting transition and when T(*)=1.00 and 0.50 the ordinary first-order transition preempts the KTHNY transition.
我们报告了具有相同胶体-胶体相互作用的准二维(Q2D)胶体组装体和二维(2D)胶体组装体相图的模拟结果。该相互作用与赞吉和赖斯[《物理评论E》58, 7529 (1998)]所报道研究中使用的相互作用相同。本工作报道的目标包括阐明小幅度面外运动对系统相图的影响,以及确定该运动对六次近晶相在熔化过程中作用的影响。我们研究的两个系统分别经历由相互作用的吸引和排斥分量诱导的一级固I-固II和固II-固III同结构转变。面外运动的引入使涉及固II相的相边界的低密度部分发生移动。两个系统的液-固I共存线几乎相同。在准二维系统中,固II-固III转变温度降低且密度升高。我们进一步利用模拟计算弹性常数,其可用于预测科斯特利茨- Thouless-哈珀林-尼尔森-杨(KTHNY)熔化转变的位置。对于Q2D系统,我们发现对于约化温度T()=1.00、0.60和0.50,一级熔化转变先于KTHNY转变。对于2D系统,当T()=0.60时,KTHNY转变几乎不先于一级熔化转变,而当T(*)=1.00和0.50时,普通的一级转变先于KTHNY转变。