Related papers: Calculation of surface tension via area sampling
Multiscale simulation methods have been developed based on the local stress sampling strategy and applied to three flow problems with different difficulty levels: (a) general flow problems of simple fluids, (b) parallel (one-dimensional)…
Accurate calculations of solvation free energies remain a central challenge in molecular simulations, often requiring extensive sampling and numerous alchemical intermediates to ensure sufficient overlap between phase-space distributions of…
The coupling parameter expansion in thermodynamic perturbation theory of simple fluids is generalized to include the derivatives of bridge function. We applied seventh order version of the theory to Square-Well (SW) and Lennard-Jones (LJ)…
The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall…
Phase separated macromolecules play essential roles in many biological and synthetic systems. Physical characterization of these systems can be challenging because of limited sample volumes, particularly for phase-separated proteins. Here,…
A consistent treatment of the coupling of surface energy and elasticity within the multi-phase- field framework is presented. The model accurately reproduces stress distribution in a number of analytically tractable, yet non-trivial, cases…
We apply to the calculation of the pressure of a hot scalar field theory a method that has been recently developed to solve the Non-Perturbative Renormalization Group. This method yields an accurate determination of the momentum dependence…
We study the elastic response of bilayer membranes with fixed projected area to both stretching and shape deformations. A surface tension is associated to each of these deformations. By using model amphiphilic membranes and computer…
Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for…
In this article, microscopic understanding of the surface tension are provided, which needs basic knowledge of thermodynamics, statistical mechanics as well as continuum mechanics. By introducing the intermolecular interaction potential and…
The Soret effect is the tendency of fluid mixtures to exhibit concentration gradients in the presence of a temperature gradient. Using molecular-dynamics simulation of two-component Lennard-Jones liquids, it is demonstrated that…
A simple Lennard-Jones fluid confined in a slit nanopore with hard walls is studied on the basis of a multilayer structured model. Each layer is homogeneous and parallel to the walls of the pore. The Helmholtz energy of this system is…
The surface free energies, interfacial tensions and correlation lengths of the Andrews-Baxter-Forrester models in regimes III and IV are calculated with fixed boundary conditions. The interfacial tensions are calculated between arbitrary…
We propose a non-local model for surface tension obtained in the form of an integral of a molecular-force-like function with support $3.5\varepsilon$ added to the Navier-Stokes momentum conservation equation. We demonstrate analytically and…
By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation…
The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While…
The contact line (CL) is where solid, liquid and vapor phases meet, and Young's equation describes the macroscopic force balance of the interfacial tensions between these three phases. These interfacial tensions are related to the nanoscale…
Microfluidics technology offers high efficiency of heat and mass transfer and low safety hazards compared to conventional multiphase processes. The multiphase flow in the microchannels is usually characterized as Taylor flow that includes…
We analyze the surface tension exerted at the interface between an active fluid and a solid boundary in terms of tangential forces. Focusing on active systems known to possess an equation of state for the pressure, we show that interfacial…
A numerical method based upon the immersed boundary technique for the fluid-solid coupling and on a soft-sphere approach for solid-solid contact is used to perform direct numerical simulation of the flow-induced motion of a thick bed of…