Nonlinear shear and elongational rheology of model polymer melts by non-equilibrium molecular dynamics

DOI10.1016/S0377-0257(03)00011-9zbMath1032.76513OpenAlexW2124702447MaRDI QIDQ1415887

P. J. Daivis, B. D. Todd, M. L. Matin

Publication date: 9 December 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(03)00011-9

zbMATH Keywords

Shear flowRouse modelBead rod model polymerElongational flowNon-equilibrium molecular dynamicsRetarded motion expansion

Mathematics Subject Classification ID

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

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Thermodynamically consistent coarse graining the non-equilibrium dynamics of unentangled polymer melts ⋮ Convergence of nonequilibrium Langevin dynamics for planar flows ⋮ Rheological and entanglement characteristics of linear-chain polyethylene liquids in planar Couette and planar elongational flows ⋮ Body fitted link-cell algorithm for particulate flow simulation in curved pipeline domain ⋮ Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications ⋮ Simple periodic boundary conditions for molecular simulation of uniaxial flow

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