title: Off-lattice Monte Carlo simulation of supramolecular polymer architectures.
abstract: We introduce an efficient, scalable Monte Carlo algorithm to simulate cross-linked architectures of freely jointed and discrete wormlike chains. Bond movement is based on the discrete tractrix construction, which effects conformational changes that exactly preserve fixed-length constraints of all bonds. The algorithm reproduces known end-to-end distance distributions for simple, analytically tractable systems of cross-linked stiff and freely jointed polymers flawlessly, and is used to determine the effective persistence length of short bundles of semiflexible wormlike chains, cross-linked to each other. It reveals a possible regulatory mechanism in bundled networks: the effective persistence of bundles is controlled by the linker density.
authors.affiliation: Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, NL-5600 MB Eindhoven, The Netherlands.
authors.forename: H E
authors.initials: HE
authors.lastname: Amuasi
authors.forename: C
authors.initials: C
authors.lastname: Storm