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A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
A simple model of dimerizing hard spheres with highly nontrivial fluid-solid phase behaviour is proposed. The model is studied using the recently proposed resummed thermodynamic perturbation theory for central force (RTPT-CF) associating…
In this paper, we introduce a diffuse interface model for describing the dynamics of mixtures involving multiple (two or more) phases. The coupled hydrodynamical system is derived through an energetic variational approach. The total energy…
A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model immiscible binary mixtures. Excluded volume interactions between the two components are modeled by stochastic multiparticle…
This paper is the fourth in a series devoted to identifying and explaining the properties of strongly correlating liquids, i.e., liquids where virial and potential energy correlate better than 90% in their thermal equilibrium fluctuations…
A discrete multistate kinetic model for water-wire proton transport is constructed and analyzed using Monte-Carlo simulations. The model allows for each water molecule to be in one of three states: oxygen lone pairs pointing leftward,…
Supercritical fluids near the critical point are characterized by liquid-like densities and gas-like transport properties. These features are purposely exploited in different contexts ranging from natural products extraction/fractionation…
We investigate the nature of vapor bubble nucleation near a nanoscale-curved convex liquid-solid interface using two models; an equilibrium Gibbs model for homogenous formation, and a nonequilibrium dynamic van der Waals/diffuse interface…
Liquid-liquid and liquid-vapor coexistence regions of various water models were determined by MC simulations of isotherms of density fluctuation restricted systems and by Gibbs ensemble MC simulations. All studied water models show multiple…
Low-density networks of molecules or colloids are formed at low temperatures when the interparticle interactions are valence limited. Prototypical examples are networks of patchy particles, where the limited valence results from highly…
A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy…
Using a fixed Eulerian mesh, the phase-field method has been successfully utilized for a broad range of moving boundary problems involving multiphase fluids and single-phase fluid-structure interaction. Nevertheless, multiphase fluids…
In this contribution, we derive a gas-liquid two-scale multi-fluid model with capillarity effects to enable a novelinterface regularization approach for multi-fluid models. As this unified modelling is capable of switching from theinterface…
The liquid-gas phase diagram for polydisperse dipolar hard-sphere fluid with polydispersity in the hard-sphere size and dipolar moment is calculated using extension of the recently proposed thermodynamic perturbation theory for central…
This paper is concerned with the diffusion of a fluid through a viscoelastic solid undergoing large deformations. Using ideas from the classical theory of mixtures and a thermodynamic framework based on the notion of maximization of the…
Various strong coupling theories of the one-component plasma have successfully predicted the thermodynamic and structural properties by separating the Coulomb potential into short- and long-ranged parts in {\itshape ad hoc} ways. Moreover,…
We propose a mathematical model for fluids in multiphase flows in order to establish a solid theoretical foundation for the study of their complex topology, large geometric deformations, and topological changes such as merging. Our modeling…
In pure anisotropic or layered superconductors thermal fluctuations induce a van der Waals attraction between flux lines. This attraction together with the entropic repulsion has interesting consequences for the low field phase diagram; in…
The derivation of shallow water models from Navier-Stokes equations is revisited yielding a class of two-layer shallow water models.An improved velocity profile is proposed, based on the superposition of an ideal fluid and a viscous layer…
Molecular dipole moment in liquid water is an intriguing property, partly due to the fact that there is no unique way to partition the total electron density into individual molecular contributions. The prevailing method to circumvent this…