title: A new bead-spring model for simulation of semi-flexible macromolecules.
abstract: A bead-spring model for semi-flexible macromolecules is developed to overcome the deficiencies of the current coarse-grained bead-spring models. Specifically, model improvements are achieved through incorporation of a bending potential. The new model is designed to accurately describe the correlation along the backbone of the chain, segmental length, and force-extension behavior of the macromolecule even at the limit of 1 Kuhn step per spring. The relaxation time of different Rouse modes is used to demonstrate the capabilities of the new model in predicting chain dynamics.
authors.affiliation: Material Research and Innovation Laboratory, Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996-2200, USA.
authors.forename: Amir
authors.initials: A
authors.lastname: Saadat
authors.affiliation: Material Research and Innovation Laboratory, Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996-2200, USA.
authors.forename: Bamin
authors.initials: B
authors.lastname: Khomami