Related papers: Polydispersity and surface energy strength in nema…
By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
We present Monte Carlo simulations of colloidal particles pulled into grafted polymer layers by external fields. The insertion free energy of a single colloid into the polymer layer is qualitatively different for surfaces with an ordered…
This paper outlines an energy-minimization finite-element approach to the computational modeling of equilibrium configurations for nematic liquid crystals under free elastic effects. The method targets minimization of the system free energy…
Binary mixtures of lamellar colloids represented by hard platelets are studied within a generalization of the Zwanzig model for rods, whereby the square cuboids can take only three orientations along the $x$, $y$ or $z$ axes. The free…
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least $\mu$m and $\mu$s, respectively -- rely on a coarse-graining approximation such that only…
Within the framework of the generalized Landau-de Gennes theory, we identify a $Q$-tensor-based energy that reduces to the four-constant Oseen-Frank energy when it is considered over orientable uniaxial nematic states. Although the commonly…
We give a brief introduction to a divergence penalized Landau-de Gennes functional as a toy model for the study of nematic liquid crystal with colloid inclusion, in the case of unequal elastic constants. We assume that the nematic occupies…
We consider a thin film limit of a Landau-de Gennes Q-tensor model. In the limiting process we observe a continuous transition where the normal and tangential parts of the Q-tensor decouple and various intrinsic and extrinsic contributions…
In mixtures of colloids and nonadsorbing polyelectrolytes, a Donnan potential arises across the region between surfaces that are depleted of polyelectrolyte and the rest of the system. This Donnan potential tends to shift the…
We consider two-dimensional Coulomb gases on the Riemann sphere with determinantal or Pfaffian structures, under external potentials that are invariant under rotations around the axis connecting the north and south poles, and with…
Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile…
We present a method for computing free-energy differences using thermodynamic integration with a neural network potential that interpolates between two target Hamiltonians. The interpolation is defined at the sample distribution level, and…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
Entropy-driven equilibrium phase behaviour of hard particle dispersions can be understood from excluded volume arguments only. While monodisperse hard spheres only exhibit a fluid-solid phase transition, anisotropic hard particles such as…
We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation,…
We investigate a free energy functional that arises in aggregation-diffusion phenomena modelled by nonlocal interactions and local repulsion on the hyperbolic space $\bbh^\dm$. The free energy consists of two competing terms: an entropy,…
Using molecular simulation, we determine Ginzburg-Landau free energy functions for molecular fluids. To this aim, we extend the Expanded Wang-Landau method to calculate the partition functions, number distributions and Landau free energies…
We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter $\sigma_c$ and non-adsorbing ideal polymer coils with diameter $\sigma_p$. For the mixture in contact with a planar hard wall, we…
Despite decades of intensive studies, the effective interactions between strongly charged colloids still remain elusive. Here we show that a strongly charged surface with a layer of condensed counter- ions behaves effectively as a…
The paper establishes exact lower bound on the effective elastic energy of two-dimensional, three-material composite subjected to the homogeneous, anisotropic stress. It is assumed that the materials are mixed with given volume fractions…