3 citations · 8 across the 7 of their papers we have counts for
8 papers
Shape enantiomerism in semi-rigid polymer liquid crystals
S. Biswas, W. S. Fall, H. H. Wensink
Weakly flexible, directed polymers can adopt a potentially infinite variety of conformations, some of them chiral. We develop a second-virial theory for semi-rigid polymers embedde…
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…
Canonical Simulation Methodology to Extract Phase Boundaries of Liquid Crystalline Polymer Mixtures
William S. Fall, Hima Bindu Kolli, Biswaroop Mukherjee +1
We report a novel multi-scale simulation methodology to quantitatively predict the thermodynamic behaviour of polymer mixtures, that exhibit phases with broken orientational symmet…
The statistics of the ordering of chiral ribbons on a honeycomb lattice
Max M. McCarthy, William S. Fall, Xiangbing Zeng +2
A novel model, devised to describe spontaneous chirality synchronization in complex liquids and liquid crystals, is proposed and studied. Segments of ribbon-like molecular columns…
Overcoming strong metastabilities with the LLR method
Biagio Lucini, William Fall, Kurt Langfeld
In previous work, it has been shown that the recently proposed LLR method is very efficient at overcoming strong metastabilities that arise near first-order phase transition points…