Segmental Lennard-Jones interactions for semi-flexible polymer networks

Simulating soft matter systems such as the cytoskeleton can enable deep understanding of experimentally observed phenomena. One challenge modelling is realistic description steric repulsion between nearby polymers. Previous models polymeric excluded volume interaction have deficit being non-analytic, computationally expensive, or allowing polymers to erroneously cross each other. A recent solution these issues, implemented in MEDYAN simulation platform, uses analytical expressions obtained from integrating an kernel along lengths two polymer segments describe their repulsion. Here, we extend this model by re-deriving it for lower-dimensional geometrical configurations, deriving similar using a steeper kernel, comparing other commonly used potentials, and showing how parameterise models. We also generalise new integrated style potential introducing segmental Lennard-Jones potential, which enables both attractive repulsive interactions semi-flexible networks. These results be further generalised facilitate development effective potentials finite elements simulations softmatter systems.