相关论文: Surface Tension Prediction for Liquid Mixtures
The Martini model, a coarse-grained forcefield for biomolecular simulations, has experienced a vast increase in popularity in the past decade. Its building-block approach balances computational efficiency with high chemical specificity,…
Charged colloidal monolayers at the interface between water and air (or oil) are used in a large number of chemical, physical and biological applications. Although a considerable experimental and theoretical effort has been devoted in the…
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…
We use the extension of scaled particle theory (ESPT) presented in the accompanying paper [Stillinger et al. J. Chem. Phys. xxx, xxx (2007)] to calculate numerically pair correlation function of the hard sphere fluid over the density range…
Accurate and robust models for the pressure strain correlation are an essential component for the success of Reynolds Stress Models in turbulent flow simulations. However replicating the non-local action of pressure using only local tensors…
A generalized line tension model has been developed to estimate the critical resolved shear stress in precipitation hardened alloys. The model is based in previous line tension models for regular arrays of either impenetrable or shearable…
We develop a one-dimensional network model to predict the steady-state distribution of yield-stress fluids in branched pipe manifolds under wall-slip conditions. The model accounts for major friction losses between junctions and…
We present a theory that is able to account quantitatively for the surface and interfacial tensions of different electrolyte solutions. It is found that near the interface, ions can be separated into two classes: the kosmotropes and the…
Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied by molecular dynamics simulations. Using the anisotropy of the perpendicular and parallel components of the pressure tensor the surface…
We present molecular dynamics simulations of the SPC/E model of water to probe the dynamic properties at temperatures from 350 K down to 190 K and pressures from 2.5GPa (25kbar) down to -300MPa (-3kbar). We compare our results with those…
Based on the survey of the literatures on the new improvements on the equation of state (EOS) for the hard sphere fluids, we here compare lots of different EOSs and present a very accurate equation of state for this kind of fluids. The new…
We consider nonparametric estimation of a mixed discrete-continuous distribution under anisotropic smoothness conditions and possibly increasing number of support points for the discrete part of the distribution. For these settings, we…
This study introduces a Riemann-based Smoothed Particle Hydrodynamics (SPH) framework for the stable and accurate simulation of surface tension in multiphase flows, with density and viscosity ratios as high as 1000 and 100, respectively.…
We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…
We use molecular dynamics simulations to test integral equation theory predictions for the structure of fluids of spherical particles with eight different piecewise-constant pair interaction forms comprising a hard core and a combination of…
We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set of non-polarizable semi-flexible models for the DMSO molecule…
Hypothesis: Understanding contact angle hysteresis on rough surfaces is important as most industrially relevant and naturally occurring surfaces possess some form of random or structured roughness. We hypothesise that hysteresis originates…
Recent measurements show that the free surfaces of liquid metals and alloys are always layered, regardless of composition and surface tension; a result supported by three decades of simulations and theory. Recent theoretical work claims,…
For the planar Navier--Lam\'e equation in mixed form with symmetric stress tensors, we prove the uniform quasi-optimal convergence of an adaptive method based on the hybridized mixed finite element proposed in [Gong, Wu, and Xu:…
Solid interfaces have intrinsic elasticity. However, in most experiments, this is obscured by bulk stresses. Through microscopic observations of the contact-line geometry of a partially wetting droplet on an anisotropically stretched…