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Effect of Patch Area and Interaction Length on Clusters and Structures Formed by One-Patch Particles in Thin Systems

Overview
Journal ACS Omega
Specialty Chemistry
Date 2020 Nov 16
PMID 33195934
Citations 3
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Abstract

Assuming that the interaction between particles is given by the Kern-Frenkel potential, Monte Carlo simulations are performed to study the clusters and structures formed by one-patch particles in a thin space between two parallel walls. In isothermal-isochoric systems with a short interaction length, tetrahedral tetramers, octahedral hexamers, and pentagonal dipyramidal heptamers are created with increasing patch area. In isothermal-isobaric systems, the double layers of a triangular lattice, which is the (111) face of the face-centered cubic (fcc) lattice, form when the pressure is high. For a long interaction length, a different type of cluster, trigonal prismatic hexamers, is created. The structures in the double layers also changed as follows: a simple hexagonal lattice or square lattice, which is the (100) face of the fcc structure, is created in isothermal-isobaric systems.

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