We present an algorithm for inserting an interface between the immiscible phases of a multicomponent lattice Boltzmann fluid which is based solely upon the appropriate continuum physics: stress boundary conditions and continuity of velocity. Results are presented for the algorithm when applied to static, neutrally buoyant drops. It is shown that the present algorithm gives a significant reduction in the spurious velocities which are reported for previous schemes and a concomitant improvement in the isotropy of the interface.

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One of the long standing challenges in molecular simulation is the description of interfaces. On the molecular length scale, finite size effects significantly influence the properties of the interface such as its interfacial tension, which can be reliably investigated by molecular dynamics simulation of planar vapor-liquid interfaces. For the Lennard-Jones fluid, finite size effects are examined here by varying the thickness of the liquid slab. It is found that the surface tension and density in the center of the liquid region decreases significantly for thin slabs. The influence of the slab thickness on both the liquid density and the surface tension is found to scale with 1/S 3 in terms of the slab thickness S, and a linear correlation between both effects is obtained. The results corroborate the analysis of Malijevský and Jackson, J. Phys.: Cond. Mat. 24: 464121 (2012), who recently detected an analogous effect for the surface tension of liquid nanodroplets.

We calculate the deformation of a spherical droplet, resulting from the application of a pair of opposite forces to particles located diametrically opposite at the two ends of the droplet. The free-energy analysis is used to calculate the force-distance curves for the generated restoring forces, arising from the displacement of the particles relative to each other. While the logarithmic dependence of the "de Gennes-Hooke" constant on the particle to droplet size ratio, ν, is rather well known in the limit of very small ν, we find that for more realistic particle to droplet size ratios, i.e. ν = 0.001 to 0.01, the additional constant terms of O(1) constitute a significant correction to previously reported results. We derive the restoring force constant to be 2πγ [0.5 − ln(ν/2)] −1 , in perfect agreement with the exact semi-numerical analysis of the same problem. The deviation from the linear force-displacement behaviour, occurring close to the point of detachment, is also investigated. A study of the energy dissipated shows it to be an increasingly dominant component of the work done during the detachment of the particles, as ν decreases. This indicates the existence of a significantly higher energy barrier to desorption of very small particles, compared to the one suggested by their adsorption energy alone.

The relationship of the microstructure of supercooled, highly viscous glycerol to the temperature dependence of its density, thermal expansion coefficient, and shear viscosity are discussed. The character of this temperature dependence at the transition from low viscosity state to the solid amorphous state (solidified state without nuclei) is described with help of function psi, which can be interpreted as the effective number of degrees of freedom responsible for the change of viscosity of glycerol over a broad range; these degrees of freedom are those related to the alpha-relaxation process. It is shown that the change in effective activation energy of the viscosity is completely determined by the parameter psi. The change in the shear viscosity of glycerol due to the influence of the solid-phase nuclei is considered. It is shown that the introduction of the parameter phi, equal to the specific volume occupied by the nuclei of the solid phase, together with psi provides a natural explanation of the temperature dependence of density and thermal expansion coefficients of glycerol in its liquid, solid amorphous, glassy, and crystal states. The peculiarities of the temperature dependence of phi(T) and psi(T) for glycerol and o-terphenyl are compared.