Monte Carlo simulations of phase transitions of systems in nanoscopic confinement

被引:9
|
作者
Binder, Kurt
Horbach, Juergen
Milchev, Andrey
Mueller, Marcus
Vink, Richard
机构
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
[2] Bulgarian Acad Sci, Inst Phys Chem, BG-1113 Sofia, Bulgaria
[3] Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany
[4] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
关键词
phase transition; nanoscopic confinement; Monte Carlo simulation;
D O I
10.1016/j.cpc.2007.02.039
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
When simple or complex fluids are confined to ultrathin films or channels or other cavities of nanoscopic linear dimensions, the interplay of finite size and surface controls the phase behavior, and may lead to phase transitions rather different from the corresponding phenomena in the bulk. Monte Carlo simulation is a very suitable tool to clarify the complex behavior of such systems, since the boundary conditions providing the confinement can be controlled and arbitrarily varied, and detailed structural information on the inhomogeneous states of the considered systems is available. Examples used to illustrate these concepts include simple Ising models in pores and double-pyramid-shaped cavities with competing surface fields, where novel types of interface local ization-delocalization phenomena occur accompanied by "macroscopic" fluctuations, and colloid-polymer mixtures confined in slit pores. Finite size scaling concepts are shown to be a useful tool also for such systems "in between" the dimensionalities. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码:140 / 145
页数:6
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