Crystal, Fivefold and Glass Formation in Clusters of Polymers Interacting with the Square Well Potential.

ABSTRACT: We present results, from Monte Carlo (MC) simulations, on polymer systems of freely jointed chains with spherical monomers interacting through the square well potential. Starting from athermal packings of chains of tangent hard spheres, we activate the square well potential under constant volume and temperature corresponding effectively to instantaneous quenching. We investigate how the intensity and range of pair-wise interactions affected the final morphologies by fixing polymer characteristics such as average chain length and tolerance in bond gaps. Due to attraction chains are brought closer together and they form clusters with distinct morphologies. A wide variety of structures is obtained as the model parameters are systematically varied: weak interactions lead to purely amorphous cl

SUBMITTER: Herranz M 

PROVIDER: S-EPMC7285265 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature