Related papers: Interface free energy or surface tension: definiti…
A method is presented to obtain {\it ab initio} upper and lower bounds to surface energies of stress-driven discommensurate surface structures, possibly non-periodic or exhibiting very large unit cells. The instability of the stressed,…
We present a simple, unified theory for the self-energy of an ion near a dielectric interface. Our theory accounts for both the short-range (solvation) and long-range (image force) electrostatic forces, charge polarization induced by these…
In this work a method is proposed for computing step free energies for faceted solid-liquid interfaces based on atomistic simulations. The method is demonstrated in an application to (111) interfaces in elemental Si, modeled with the…
We give a physical interpretation of the entries of the reflection $K$-matrices of Baxter's eight-vertex model in terms of an Ising interaction at an open boundary. Although the model still defies an exact solution we nevertheless obtain…
We use a phase-separated driven two-dimensional Ising lattice gas to study fluid interfaces exposed to shear flow parallel to the interface. The interface is stabilized by two parallel walls with opposing surface fields and a driving field…
The computation of interfacial free energies between coexisting phases (e.g.~saturated vapor and liquid) by computer simulation methods is still a challenging problem due to the difficulty of an atomistic identification of an interface, and…
We investigate relaxation dynamics along the entire first-order phase transition line by analyzing the time evolution of the free energy landscape in the three-dimensional kinetic Ising model. Near the critical temperature $T_{\rm c}$, the…
When two elastic solids with randomly rough surfaces are brought in contact, a very inhomogeneous stress distribution sigma(x) will occur at the interface. Here I study the elastic energy and the correlation function <sigma(q)sigma(-q)>,…
With an aim to include the contribution of surface tension in the action of the boundary, we define the tangential pressure in terms of surface tension and Normal curvature in a more naturally geometric way. First, we show that the negative…
The approach of global isomorphism between the fluid and the Ising model is applied to obtain an expression for the surface tension of the Lennard-Jones fluid on the basis of the information about the Ising model. This is done in a broad…
Free energy and entropy are examined in detail from the standpoint of classical thermodynamics. The approach is logically based on the fact that thermodynamic work is mediated by thermal energy through the tendency for nonthermal energy to…
The available enthalpy is an early form of the modern thermodynamic concept of exergy, which is the generic name for the amount of work obtainable when some matter is brought to a state of equilibrium with its surroundings by means of…
The description of free surface flows can often be simplified to thin film (or lubrication) equations, when the slopes of the liquid-gas interface are small. Here we present a long wavelength theory that remains fully quantitative for steep…
There are various methods for modeling phase transformations in materials science, including general classes of phase-field methods and reactive diffusion methodologies, which most importantly differ in their treatment of interface energy.…
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibility, where we examined the relation between the interfacial…
The adsorption behavior of ions at liquid-vapor interfaces exhibits several unexpected yet generic features. In particular, energy and entropy are both minimum when the solute resides near the surface, for a variety of ions in a range of…
Using an analytically tractable lattice model for reaction-diffusion processes of hard-core particles we demonstrate that under nonequilibrium conditions phase coexistence may arise even if the system is effectively one-dimensional as e.g.…
In this work we show that there is a direct relationship between a graph's topology and the free energy of a spin system on the graph. We develop a method of separating topological and enthalpic contributions to the free energy, and find…
We analyze two representative systems containing a three-phase-contact line: a liquid lens at a fluid--fluid interface and a liquid drop in contact with a gas phase residing on a solid substrate. We discuss to which extent the decomposition…
We propose a continuum model to describe the molecular alignment in thin nematic shells. By contrast with previous accounts, the two-dimensional free energy, aimed at describing the physics of thin films of nematics deposited on curved…