4 papers
Polymer Knots in Thin Films: Thickness Dependence, Local Effects, and Stiffness
Maurice P. Schmitt, Hendrik Meyer, Peter Virnau
We study how confinement affects topology and conformations in polymer films of varying thickness . The knotting probability exhibits a maximum at intermediate thicknesses near…
Topological comparison of flexible and semiflexible chains in polymer melts with -chains
Maurice P. Schmitt, Sarah Wettermann, Kostas Ch. Daoulas +2
A central paradigm of polymer physics states that chains in melts behave like random walks as intra- and interchain interactions effectively cancel each other out. Likewise, -c…
Branches, Tie Chains and Entanglements in Bimodal Polyethylene Single Crystals under Uniaxial Tensile Strain
William S. Fall, Jörg Baschnagel, Hendrik Meyer
Using coarse-grained molecular dynamics simulations and a united-monomer model of PE, single well-aligned multi-lamella PE crystals grown in previous work [ACS Macro Letters 12, 80…
Molecular Simulations of Quantized Lamellar Thickening in Polyethylenes with Regularly Spaced Brominated Groups
Kutlwano Gabana, Gillian A. Gehring, Hendrik Meyer +3
Polyethylene (PE) chains, with CH2 groups replaced by CBr2 at regular intervals ("precision PE"), have been observed to exhibit competing polymorphs driven by a preference for quan…