相关论文: A Monte Carlo simulation study on the wetting beha…

In the immediate vicinity of the critical temperature (T$_c$) of a phase transition, there are fluctuations of the order parameter, which reside beyond the mean-field approximation. Such critical fluctuations usually occur in a very narrow…

Isotopically layered amorphous solid water films were used to measure the diffusivity of deeply supercooled liquid water near the glass transition. The films, composed of separate layers of oxygen 16 and oxygen 18 labeled water, were grown…

We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this newly trained model, we emphasize the importance of accurate…

This paper is part of a series investigating the observational appearance of planets accreting from their nascent protoplanetary disk (PPD). We evaluate the differences between gas temperature distributions determined in our radiation…

We calculate the melting line of atomic hydrogen and deuterium up to 900 GPa with path-integral Monte Carlo using a machine-learned interatomic potential. We improve upon previous simulations of melting by treating the electrons with…

Molecular Dynamic and Monte Carlo studies are performed in a family of core-softened (CS) potential, composed by two length scales: a repulsive shoulder at short distances and the another a variable scale, that can be repulsive or strongly…

The kinetics of the sorption and the subsequent desorption of 4He by the starting graphite oxide (GtO) and the thermally reduced graphene oxide samples (TRGO, Treduction = 200, 300, 500, 700 and 900 C) have been investigated in the…

Low-energy structures of a hybrid system consisting of a polymer and an attractive nanowire substrate as well as the thermodynamics of the adsorption transition are studied by means of Monte Carlo computer simulations. Depending on…

We present the first microscopic images of the prewetting transition of a liquid film on a solid surface. Pictures of the local coverage map of a helium film on a cesium metal surface are taken while the temperature is raised through the…

This article demonstrates an undergraduate experiment for the determination of specific heat capacities of various solids based on a calorimetric approach, where the solid vaporizes a measurable mass of liquid nitrogen. We demonstrate our…

Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here we report quantum Monte Carlo results for the adsorption of a…

The wettability of monolayer and multilayer graphene remains a topic of longstanding debate. Here, we combined first-principles molecular dynamics simulations accelerated with the atomic cluster expansion machine learning interatomic…

A microscopic density functional theory is used to investigate the adsorption of short chains on attractive solid surfaces. We analyze the structure of the adsorbed fluid and investigate how the wetting transition changes with the change of…

Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…

We have studied by means of Density-Functional calculations the wetting properties of Ar and Ne adsorbed on a plane whose adsorption properties simulate the Li and Na surfaces. We use reliable ab-initio potentials to model the gas-substrate…

This investigation derives formulas to predict the mixed convective surface conductance of a flat isotropic surface roughness having a convex perimeter in a Newtonian fluid with a steady forced flow in the plane of that roughness. Heat…

Increasing shares of fluctuating renewable energy sources induce higher and higher power flow variability at the transmission level. The question arises as to what extent existing networks can absorb additional fluctuating power injection…

A quantum interatomic scattering is implemented in the direct simulation Monte Carlo (DSMC) method applied to transport phenomena in rarefied gases. In contrast to the traditional DSMC method based on the classical scattering, the proposed…

Accurate estimation of surface wettability for various degrees of hydrophobicity becomes increasingly important in the molecular design of membrane. In this paper, we develop simple yet physically realistic model for estimating contact…

We propose a sharp-interface model for solid-state dewetting of thin films with wetting potential, where the wetting effect is incorporated through a thickness-dependent surface energy. The model is governed by surface diffusion together…