Computational analysis of morphologies and phase transitions of cross-linked, semi-flexible polymer networks

Abstract

The eukaryotic cytoskeleton is a protein fibre network mainly consisting of the semi-flexible biopolymer F-actin, microtubules and intermediate filaments. It is well known to exhibit a pronounced structural polymorphism, which enables intracellular processes such as cell adhesion, cell motility and cell division. We present a computational study on cross-linked networks of semi-flexible polymers, which offers a detailed analysis of the network structure and phase transitions from one morphology to another. We elaborate the morphological differences, their mechanical implications and the order of the observed phase transitions. Finally, we present a perspective on how the information gained in our simulations can be exploited in order to build both flexible and accurate, microstructurally informed, homogenized constitutive models of the cytoskeleton.