Related papers: Three-phase equilibria in density-functional theor…
Density functional theory has made great success in solid state physics, quantum chemistry and in computational material sciences. In this work we show that density functional theory could shed light on phase transitions and entanglement at…
We find a thermodynamic description of gas-liquid criticality that is different from van der Waals and mean-field theories. At the critical temperature there is no critical point; a liquid phase coexists with a vapor phase with densities…
We derive the interfacial tension of a semi infinite two phase binary mixture of partially miscible fluids in contact with a planar surface. In our model we take a surface free energy term into account omitted by Cahn [J. W. Cahn, J.…
The Barker-Henderson perturbation theory is a bedrock of liquid-state physics, providing quantitative predictions for the bulk thermodynamic properties of realistic model systems. However, this successful method has not been exploited for…
The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases,…
We introduce an anisotropic mean-field approach for the dynamics of semiflexible polymers under intermediate tension, the force range where a chain is partially extended but not in the asymptotic regime of a nearly straight contour. The…
Inertial microfluidics has been limited to dilute particle concentrations due to defocusing (spreading out) at high particle concentrations. We observe a counterintuitive shift of focusing to the outer curved wall under high concentration…
The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…
The shear misfit model for the highly viscous flow is based upon a theoretical prediction for its terminal stage in terms of irreversible Eshelby relaxations in the five-dimensional shear space. The model is shown to predict a small…
We present a new phase-field formulation for the non-equilibrium interface kinetics. The diffuse interface is considered an integral of numerous representative volume elements (RVEs), in which there is a two-phase mixture with two conserved…
The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…
Most of the commercially important alloys are multicomponent, producing multiphase microstructures as a result of processing. When the coexisting phases are elastically coherent, the elastic interactions between these phases play a major…
A two-dimensional system of 10000 hard disks with square periodic boundary conditions, at a density in the middle of the 2-phase region predicted from equation-of-state data, when subjected to a weak external uniform force, is seen to phase…
We consider a model fluid with long-ranged, dispersion interparticle potentials confined between competing parallel walls. One wall is solvophilic and would be completely wet at bulk liquid-gas coexistence while the other is solvophobic and…
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…
We propose a nonlocal model for surface tension. This model, in combination with the Landau-Lifshitz-Navier-Stokes equations, describes mesoscale features of the multiphase flow, including the static (pressure) tensor and curvature…
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…
A density functional theory of two-dimensional freezing is presented for a soft interaction potential that scales as inverse cube of particle distance. This repulsive potential between parallel, induced dipoles is realized for paramagnetic…
Hydrodynamic density functional theory (DFT) is applied to analyse dynamic contact angles of droplets in order to assess its predictive capability regarding wetting phenomena at the microscopic scale and to evaluate its feasibility for…
A phase-field approach to the dynamics of liquid-solid interfaces that evolve due to precipitation and/or dissolution is presented. For the purpose of illustration and comparison with other methods, phase field simulations were carried out…