skip to main content

SciTech ConnectSciTech Connect

Title: Bistability in a self-assembling system confined by elastic walls: Exact results in a one-dimensional lattice model

The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk. Exact and asymptotic expressions for the local density and for the effective potential between the confining surfaces are obtained for a one-dimensional lattice model introduced by J. Pȩkalski et al. [J. Chem. Phys. 138, 144903 (2013)]. The simple asymptotic formulas are shown to be in good quantitative agreement with exact results for slits containing at least 5 layers. We observe that the incommensurability of the system size and the average distance between the clusters or layers in the bulk leads to structural deformations that are different for different values of the chemical potential μ. The change of the type of defects is reflected in the dependence of density on μ that has a shape characteristic for phase transitions. Our results may help to avoid misinterpretation of the change of the type of defects as a phase transition in simulations of inhomogeneous systems. Finally, we show that a system confined by soft elastic walls may exhibit bistability such that two system sizes that differ approximately by the average distancemore » between the clusters or layers are almost equally probable. This may happen when the equilibrium separation between the soft boundaries of an empty slit corresponds to the largest stress in the confined self-assembling system.« less
Authors:
;  [1] ;  [2]
  1. Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa (Poland)
  2. Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid (Spain)
Publication Date:
OSTI Identifier:
22415469
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; APPROXIMATIONS; ASYMPTOTIC SOLUTIONS; COMPUTERIZED SIMULATION; CONFINEMENT; DEFORMATION; DENSITY; EQUILIBRIUM; LAYERS; ONE-DIMENSIONAL CALCULATIONS; PHASE TRANSFORMATIONS; POTENTIALS; STRESSES; SURFACES