相关论文: Does Young's equation hold on the nanoscale? A Mon…
By extending the theoretical framework derived in our previous study [Y. Imaizumi et al., J. Chem. Phys. 153, 034701 (2020)], we successfully calculated the solid-liquid (SL) and solid-vapor (SV) interfacial tensions of a simple…
We present a mesoscopic model, based on the Boltzmann Equation, for the interaction between a solid wall and a non-ideal fluid. We present an analytic derivation of the contact angle in terms of the surface tension between the liquid-gas,…
We propose a simple Monte Carlo method to calculate the interfacial free energy between the substrate and the material. Using this method we investigate the interfacial free energys of the hard sphere fluid and solid phases near a smooth…
The three-phase contact line of a droplet on a smooth surface can be characterized by the Young-Dupr\'e equation. It relates the interfacial energies with the macroscopic contact angle $\theta_e$. On the mesoscale, wettability is modeled by…
The effect of line tension on the axisymmetric nanoscale capillary bridge between two identical substrates with convex, concave and flat geometry at the liquid-vapor equilibrium is theoretically studied. The modified Young's equation for…
Results from Monte Carlo simulations of wall-attached droplets in the three-dimensional Ising lattice gas model and in a symmetric binary Lennard-Jones fluid, confined by antisymmetric walls, are analyzed, with the aim to estimate the…
Vapor-liquid menisci of the truncated and shifted Lennard-Jones fluid between parallel planar walls are investigated by molecular dynamics simulation. Thereby, the characteristic energy of the unlike dispersive interaction between fluid…
Different computational techniques in combination with molecular dynamics computer simulation are used to to determine the wall-liquid and the wall-crystal interfacial free energies of a modified Lennard-Jones (LJ) system in contact with a…
In this paper, starting from the Born-Green-Yvon (BGY) equation, we derive a general expression for the contact value of the singlet distribution function near a hard wall for anisotropic fluids. This relation includes two separate…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
We present a quantitative comparison between extensive Monte Carlo simulations and self-consistent field calculations on the phase diagram and wetting behavior of a symmetric, binary (AB) polymer blend confined into a film. The flat walls…
Motivated by the need for greater understanding of systems that involve interfaces between a nematic liquid crystal, a solid substrate, and a passive gas that includes nematic--substrate--gas three-phase contact lines, we analyse a…
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones…
Molecular dynamics simulation is used for studying the contact angle of nanoscale sessile drops on a planar solid wall in a system interacting via the truncated and shifted Lennard-Jones potential. The entire range between total wetting and…
The wetting of solid surfaces by fluids is a problem of great practical importance that has been extensively studied over the years. Most often, the experimental work has involved measurements of the contact angle made by a liquid on the…
Recently contact angle hysteresis in two-dimensional droplets lying on a solid surface has been studied extensively in terms of static friction due to pinning forces at contact points. Here we propose a method to determine the coefficient…
The application of the Young-Laplace equation to a solid-liquid interface is considered. Computer simulations show that the pressure inside a solid cluster of hard spheres is smaller than the external pressure of the liquid (both for small…
A generalized Young's equation, which takes into account two corrections to the line tension by the curvature dependence of the liquid-vapor surface tension and by the contact angle dependence of the intrinsic line tension, is derived from…
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…