Alternative spring force law for bead-spring chain models of the worm-like chain
نویسندگان
چکیده
e have developed a new spring force law which can be used in bead-spring chain models of the orm-like chain. The bead-spring chain has no bending potentials between the springs, and so iffers from the current models only in the functional form of the force law. This new model can ccurately represent a chain that contains many persistence lengths even if each spring represents nly a few persistence lengths. We also discuss the assumptions in the model and other sources of ossible error. The new force law significantly reduces the error compared with using the arko-Siggia interpolation formula. © 2006 The Society of Rheology. DOI: 10.1122/1.2206713
منابع مشابه
Development of bead-spring polymer models using the constant extension ensemble
We have examined a new method for generating coarse-grained models of polymers. The resulting models consist of bead-spring chains with the spring force law taken from the force-extension behavior in the constant extension ensemble. This method, called the polymer ensemble transformation method, is applied to the freely jointed chain. The resulting model illustrates why current bead-spring chai...
متن کاملAccuracy of bead-spring chains in strong flows
We have analyzed the response of bead-spring chain models in strong elongational flow as the amount of polymer represented by a spring s changed. We examined the longest relaxation time of the chains which is used to quantify the strength of the flow in terms of a Weissenberg umber. A chain with linear springs can be used to predict the longest relaxation time of the nonlinear chains if the lin...
متن کاملBrownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models.
A very stiff finitely extensible nonlinear elastic (FENE)-Fraenkel spring is proposed to replace the rigid rod in the bead-rod model. This allows the adoption of a fast predictor-corrector method so that large time steps can be taken in Brownian dynamics (BD) simulations without over- or understretching the stiff springs. In contrast to the simple bead-rod model, BD simulations with beads and F...
متن کاملSemiflexible macromolecules in quasi-one-dimensional confinement: Discrete versus continuous bond angles.
The conformations of semiflexible polymers in two dimensions confined in a strip of width D are studied by computer simulations, investigating two different models for the mechanism by which chain stiffness is realized. One model (studied by molecular dynamics) is a bead-spring model in the continuum, where stiffness is controlled by a bond angle potential allowing for arbitrary bond angles. Th...
متن کاملUSING FREE DISPOSAL HULL MODELS IN SUPPLY CHAIN MANAGEMENT
To help improve customer satisfaction management (CRM), greater emphasis is given to the aspect of quality in the supply chain. And improve supply chain performance through integrated business management and strategic partnerships. On the other hand, strategic supply chain management decisions are made at a company level that determine benefits and efficiencies of the supply chain and effective...
متن کامل