Related papers: Density--nematic coupling in isotropic linear poly…
Disclination configurations of a nematic liquid crystal are studied within a self-consistent molecular field theory. The theory is based on a tensor order parameter, and can accommodate anisotropic elastic energies without the known…
Nematic ordering describes the phenomenon where anisotropic molecules tend to locally align, like matches in a matchbox. This ordering can arise in solids (as nematic elastomers), liquids (as liquid crystals), and in gases. In the 1940s,…
The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…
Hard spherocylinders (cylinders of length $L$ and diameter $D$ capped at both ends with two hemispheres) provide a suitable model for investigating entropy-driven, mesophase formations in real colloidal fluids that are composed of rigid…
Motivated by the structure of networks of cross-linked cytoskeletal biopolymers, we study the orientationally ordered phases in two-dimensional networks of randomly cross-linked semiflexible polymers. We consider permanent cross-links which…
In frameworks of the scaling theory of phase transitions and critical phenomena the quantitative dependence of macroscopic properties on nanostructural parameters in a polymeric material is revealed. The draw ratios at neck and at break are…
We develop a theory of polymers in a nematic solvent by exploiting an analogy with two-dimensional quantum bosons at zero temperature. We argue that the theory should also describe polymers in an {\sl isotropic} solvent. The dense phase is…
In this work, we study a class of nonlocal-in-time kinetic models of incompressible dilute polymeric fluids. The system couples a macroscopic balance of linear momentum equation with a mezoscopic subdiffusive Fokker-Planck equation…
A singular potential method in the Q tensor order parameter representation of a nematic liquid crystal is used to study the equilibrium configuration of a disclination dipole. Unlike the well studied isotropic limit (the so called one…
We explore reshaping of nematoelastic films upon imbibing an isotropic solvent under conditions when isotropic and nematic phases coexist. The structure of the interphase boundary is computed taken into account the optimal nematic…
Starting from a three-dimensional description of an active nematic layer, we employ an asymptotic theory to derive a series of low-dimensional continuum models that capture the coupled dynamics of flat and curved films, including variations…
The random walk of a bonded monomer in a polymer melt is anisotropic due to local order and bond connectivity. We investigate both effects by molecular-dynamics simulations on melts of fully-flexible linear chains ranging from dimers…
Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…
We establish a macroscopic description of the splay--density coupling in semiflexible main-chain nematic polymers with hairpins, using a vectorial continuity constraint for the "recovered" polar order of the chain tangents and introducing…
The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…
Phase-ordering dynamics in nematic liquid crystals has been the subject of much active investigation in recent years in theory, experiments and simulations. With a rapid quench from the isotropic to nematic phase a large number of…
An exact kinematic law for the motion of disclination lines in nematic liquid crystals as a function of the tensor order parameter $\mathbf{Q}$ is derived. Unlike other order parameter fields that become singular at their respective defect…
We use nematic Multi-particle Collision Dynamics (N-MPCD) simulations to study confined nematic liquid crystals in square domains, with three distinct mean-field potentials: the classical Maier-Saupe and Marrucci-Greco models, and a more…
In this paper, we employ Molecular Dynamics computer simulations to study and compare the statics and dynamics of linear and circular (ring) polymer chains in entangled solutions of different densities. While we confirm that linear chain…
In this work, we study the nematic-isotropic phase transition based on the dynamics of the Landau--De Gennes theory of liquid crystals. At the critical temperature, the Landau--De Gennes bulk potential favors the isotropic phase and nematic…