Monolayer spreading in confined immiscible fluids: A molecular dynamics simulation

Wettability of boron monolayer using molecular dynamics simulation method

Over the past years, two-dimensional materials such as graphene, phosphorene, silicene, and boron-nitride have attracted the attention of many researchers. After the successful synthesis of graphene, due to its many new applications, researches began to produce nanosheets from other elements, and among these elements, boron was one of the options. In the periodic table of elements, boron is ahe...

Configurational temperature profile in confined fluids. II. Molecular fluids

Molecular dynamics simulation of heat conduction in near-critical fluids.

Using molecular dynamics simulations we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity exhibits critical singularity in agreement with the mode-coupling theory in two dimensions. We also calculate distributions of the momentum and heat fluxes at fi...

Infiltrations in Immiscible Fluids Systems

In this paper we prove a certain regularity property of configurations of immiscible fluids, filling a bounded container Ω and locally minimizing the interface energy ∑ i<j cij‖Sij‖, where Sij represents the interface between fluid i and fluid j, ‖ · ‖ stands for area or more general areatype functional, and cij is a positive coefficient. More precisely, we show that, under strict triangularity...

Investigation of Melting by Molecular Dynamics Simulation

The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...