相关论文: Connecting local structure to interface formation:…

We have developed a new and general theory of nonuniform fluids that naturally incorporates molecular scale information into the classical van der Waals theory of slowly varying interfaces. Here the theory is applied to the liquid-vapor…

We consider the contribution of thermal capillary waves to the interaction between a fluid-fluid interface and a nearby nanoparticle. Fluctuations are described thanks to an effective interaction potential which is derived using the…

Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…

Inhomogeneity of ion correlation widely exists in many physicochemical, soft matter, and biological systems. Here, we apply the modified Gaussian renormalized fluctuation theory to study the classic example of the vapor-liquid interface of…

We introduce a dissipative particle dynamics scheme for the dynamics of non-ideal fluids. Given a free-energy density that determines the thermodynamics of the system, we derive consistent conservative forces. The use of these effective,…

In this work the interface system of the van der Waals fluid is investigated by using the density gradient theory incorporated with the mean-field theory. Based on the mean-field dividing interface generated by the Maxwell construction, we…

A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…

Thermally excited capillary waves at fluid interfaces in binary liquid mixtures exhibit simultaneously both density and composition fluctuations. Based on a density functional theory for inhomogeneous binary liquid mixtures we derive an…

The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2.…

In a one-component fluid, we investigate evaporation of a small axysymmetric liquid droplet in the partial wetting condition on a heated wall at $T\sim 0.9 T_c$. In the dynamic van der Waals theory (Phys. Rev. E {\bf 75}, 036304 (2007)), we…

With molecular simulation for water and a tunable hydrophobic substrate, we apply the instantaneous interface construction [A. P. Willard and D. Chandler, J. Phys. Chem. B, 114, 1954 (2010)] to examine the similarity between a water-vapor…

From microscopic fluid clusters to macroscopic droplets, the structure of fluids is governed by the Van der Waals force, a force that acts between polarizable objects. In this Letter, we derive a general theory that describes the…

Two different theories are used to understand the liquid-vapor interfaces: the Van der Waals theory and the capillary waves theory. But comparing both come up a problem of interpretation of the interface density profiles obtained, for…

We analyze the properties of a generic cosmological fluid described by the van der Waals equation of state. Exact solutions for the energy density evolution are found as implicit functions of the scale factor for a flat…

Through the decomposition of the pressure into the kinetic and the intermolecular contributions, we show that the pressure anisotropy in the fluid interface, which is the source of the interfacial tension, comes solely from the latter…

We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The…

We investigate liquid layers adsorbed at spherical and corrugated cylindrical substrates. The effective Hamiltonians for the liquid-gas interfaces fluctuating in the presence of such curved substrates are derived via the mean-field density…

Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW) interactions self-consistently provide a remarkably accurate…

We propose a new method to study motions of mixtures in fluid interfaces. We extend the equations of equilibrium in interfaces and the results associated with travelling waves for van der Waals like fluids. Maxwell rule is extended to…

The generalized van der Waals equation of state for anisotropic liquids in porous media consists of two terms.One of them is based on the equation of state for hard spherocylinders in random porous media obtained from the scaled particle…