Influence of chain stiffness on semiflexible polymer melts in two dimensions via molecular dynamics simulation
JM Kim, MOLECULAR SIMULATION, 47, 1290-1298 (2021).
Two-dimensional (2D) semiflexible polymers exhibit distinctive conformational and dynamical behaviour compared to the corresponding bulk polymers. Understanding the microscopic origins of this characteristic behaviour of 2D semiflexible polymers is critical for the practical applications of nanoscale polymer systems such as monolayer polymer films, polymer nanocomposites, and biological membranes. To this end, we used coarse-grained molecular dynamics simulation to investigate the behaviour of two-dimensional (2D) semiflexible polymers in a melt by varying the chain stiffness and chain length. Interestingly, the conformational and dynamical behaviour of semiflexible polymer chains was observed to depend on the chain stiffness.
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