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Breakdown of the Kratky-Porod Wormlike Chain Model for Semiflexible Polymers in Two Dimensions
Hsiao-Ping Hsu, Wolfgang Paul, Kurt Binder
By large-scale Monte Carlo simulations of semiflexible polymers in dimensions the applicability of the Kratky-Porod model is tested. This model is widely used as "standard mo…
Computer simulation of bottle brush polymers with flexible backbone: Good solvent versus Theta solvent conditions
Panagiotis E. Theodorakis, Hsiao-Ping Hsu, Wolfgang Paul +1
By Molecular Dynamics simulation of a coarse-grained bead-spring type model for a cylindrical molecular brush with a backbone chain of effective monomers to which with grafti…
Methods to Compute Pressure and Wall Tension in Fluids containing Hard Particles
Debabrata Deb, Dorothea Wilms, Alexander Winkler +2
Colloidal systems are often modelled as fluids of hard particles (possibly with an additional soft attraction, e.g. caused by polymers also contained in the suspension). in simulat…
Stretching Semiflexible Polymer Chains: Evidence for the Importance of Excluded Volume Effects from Monte Carlo Simulation
Hsiao-Ping Hsu, Kurt Binder
Semiflexible macromolecules in dilute solution under very good solvent conditions are modeled by self-avoiding walks on the simple cubic lattice ( dimensions) and square latti…
Mesophase formation in two-component cylindrical bottle-brush polymers
Igor Erukhimovich, Panagiotis E. Theodorakis, Wolfgang Paul +1
When two types of side chains (A,B) are densely grafted to a (stiff) backbone and the resulting bottle-brush polymer is in a solution under poor solvent conditions, an incompatibil…