相关论文: Coarse-Grained Modeling of a Deformable Nematic Ve…
Nematic solids respond strongly to changes in ambient heat or light, significantly differently parallel and perpendicular to the director. This phenomenon is well characterized for uniform director fields, but not for defect textures. We…
The prediction of the equation of state and the phase behavior of simple fluids (noble gases, carbon dioxide, benzene, methane, short alkane chains) and their mixtures by Monte Carlo computer simulation and analytic approximations based on…
Combining molecular dynamics and Monte Carlo simulation we study defect structures around an elongated colloidal particle embedded in a nematic liquid crystal host. By studying nematic ordering near the particle and the disclination core…
We study the phase ordering colloids suspended in a thermotropic nematic liquid crystal below the clearing point Tni and the resulting aggregated structure. Small (150nm) PMMA particles are dispersed in a classical liquid crystal matrix,…
Recent numerical simulations of hard helical particle systems unveiled the existence of a novel chiral nematic phase, termed screw-like, characterised by the helical organization of the particle C$_2$ symmetry axes round the nematic…
The anchoring of nematic liquid crystals on surfaces with grafted liquid crystalline chain molecules is studied by computer simulations and within a mean field approach. The computer simulations show that a swollen layer of collectively…
In this study, we implement the deviatoric curvature model to examine dynamically triangulated surfaces with anisotropic membrane inclusions. The Monte-Carlo numerical scheme is devised to not only minimize the total bending energy of the…
We introduce a coarse-grained model for atomic glass formers. Its elements are physically motivated local microscopic dynamical rules parameterized by observables. Results of the model are established and used to interpret the measured…
Recent experimental discoveries of novel nematic types with polar order, including ferroelectric nematic and splay nematic have brought the resurgence of the interest in polar and modulated phases. One of the most important factors that is…
The nonlinear elastic properties of nematic liquid crystals have acquired new interest with the recent experimental observation of bulk modulated nematic phases which are composed by achiral molecules. We extend the Oseen-Zocher-Frank's…
A dynamical atomistic chain to simulate mechanical properties of a one-dimensional material with zero temperature may be modelled by the molecular dynamics (MD) model. Because the number of particles (atoms) is huge for a MD model, in…
Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…
The assembly of colloids in nematic liquid crystals via topological defects has been extensively studied for spherical particles, and investigations of other colloid shapes have revealed a wide array of new assembly behaviors. We show,…
We derive a F\"{o}ppl-von K\'{a}rm\'{a}n-type constitutive model for solid liquid crystalline plates where the nematic director may or may not rotate freely relative to the elastic network. To obtain the reduced two-dimensional model, we…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with…
Aggregation processes in systems of planar macromolecules and colloids drive a broad range of phenomena in natural systems and soft materials. Depending on chemical architecture, intermolecular interactions in these systems may favor…
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…
One of the central experimental efforts in nematic colloids research aims to explore how the interplay between the geometry of particles along with the accompanying nematic director deformations and defects around them can provide a means…
The shape deformation of a three-dimensional axisymmetric vesicle with encapsulated filaments or impurities is analyzed by integrating a dissipation dynamics. This method can incorporate systematically the constraint of a fixed surface area…