4 papers
Spontaneous Chiral Symmetry Breaking in Polydisperse Achiral Near-Rigid Nematogens
William S. Fall, Henricus H. Wensink
Understanding chirality transfer from the molecular to the macroscopic scale poses a significant challenge in soft and biological condensed matter physics. Many nanorods of biologi…
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…
Complex Smectic Phases in Polymer Grafted Shape-Uniform Cellulose Nano-Crystals
William S. Fall, Henricus H. Wensink
The effect of short chain grafting on the liquid crystalline (LC) ordering of nano-crystals is investigated using molecular dynamics simulations of a coarse-grained grafted nano-ro…