Brownian dynamics simulations of bead-rod and bead-spring chains: Numerical algorithms and coarse-graining issues.

DOI10.1016/S0377-0257(02)00132-5MaRDI QIDQ1398239zbMATHOpenAlexFDO

Authors Madan Somasi, Bamin Khomami, Nathanael J. Woo, Joe S. Hur, Eric S. G. Shaqfeh

Publication date 29 July 2003

Published in Journal of Non-Newtonian Fluid Mechanics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0377-0257(02)00132-5

zbMATH Keywords

AlgorithmBrownian dynamicsShear flowBead-rod modelBead-spring modelCoarse grainingDilute polymer solutionExtensional flow

Mathematics Subject Classification ID

Viscoelastic fluids (76A10) Statistical mechanics of polymers (82D60)

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• Anomalous pressure drop behaviour of mixed kinematics flows of viscoelastic polymer solutions: a multiscale simulation approach
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• Review on the Brownian dynamics simulation of bead-rod-spring models encountered in computational rheology
• Polymer chain dynamics in Newtonian and viscoelastic turbulent channel flows
• Stretching of polymer chains by fluctuating flow fields
• Polymers in turbulence: any better than dumbbells?
• A computationally efficient approach for Hi fidelity fine graining from bead-spring models to bead-rod models
• An alternative to the bead-rod model: bead-spring chains with successive fine graining
• Sedimentation of a sphere in a viscoelastic fluid: a multiscale simulation approach
• A mean-field anisotropic diffusion model for unentangled polymeric liquids and semi-dilute solutions: model development and comparison with experimental and simulation data
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• Mesoscopic dynamics of polymer chains in high strain rate extensional flows
• Metropolis integration schemes for self-adjoint diffusions
• Recirculating flows involving short fiber suspensions: numerical difficulties and efficient advanced micro-macro solvers
• Direct Monte Carlo simulation of turbulent drag reduction by rigid fibers in a channel flow
• Reduced numerical modeling of flows involving liquid-crystalline polymers
• A mixed Brownian dynamics -- SPH method for the simulation of flows of suspensions of bead-spring chains in confined geometries with hydrodynamic interaction
• Varying the resolution of the rouse model on temporal and spatial scales: application to multiscale modeling of DNA dynamics
• Modeling hydrodynamic interaction in Brownian dynamics: simulations of extensional flows of dilute solutions of DNA and polystyrene.
• On estimating stress in free-draining Kramers chain simulations using stochastic filtering
• Numerical method for the simulation of the Brownian dynamics of rod-like microstructures with three-dimensional nonlinear beam elements
• Brownian dynamics simulation of finitely extensible bead-spring chains
• On the coarse-graining of polymers into bead-spring chains
• An effective bead-spring model for polymer simulation
• Hydrodynamic couplings of colloidal ellipsoids diffusing in channels

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