Self-Assembly of Polymeric Chains under a new Radially Symmetric Potential

Abstract

Self Assembly of particles under a radially symmetric two-body potential was studied. The new potential was designed by us with the aim of modeling polymeric chains. The self assembly, implemented through the off-lattice Monte Carlo scheme, produced chain-like structures. The structures were found to have branching, which, although remained after various attempts to eliminate, was brought down to a minimum. The set of parameters of potential was then optimized for maximum chain length with least branching. The clustersize distribution was analyzed and found to have exponential distribution. As a measure to reduce branching of the chains, the system was confined between walls and was subjected to weak constant shear stress, implemented using Molecular Dynamics scheme. The response of the system was analyzed. The variation of the branching and clustersize when the system was sheared with walls of various degrees of attraction was studied.