Purpose – The purpose of this paper is to address the problems of interaction of tensile stress-waves with polyurea/fused-silica and fused-silica/polyurea interfaces, and the potential for the accompanying interfacial decohesion. Design/methodology/approach – The problems are investigated using all-atom non-equilibrium molecular-dynamics methods and tools. Before these methods/tools are employe...

The formation of moiré superstructures between graphene and its underlying substrate has attracted significant attention because it significantly influences the morphology and properties of graphene. Through the density functional theory (DFT) calculations conducted on graphene/Re(0001) and graphene/Ir(111) moiré superstructures, we found that in contrast to the strain-driven moiré superstructu...

In this paper, we studied effect of different parameters including density, viscosity, interfacial tension and solute transfer concentration on phase inversion hold-up. The results showed that change in phase density ratio had no effect on phase inversion hold-up. It also disclosed that the phase viscosity ratio was the most effective parameter affecting phase inversion hold-up and each phase h...

In modern information technology, as integration density increases rapidly and the dimension of materials reduces to nanoscale, interfacial thermal transport (ITT) has attracted widespread attention of scientists. This review introduces the latest theoretical development in ITT through one-dimensional (1D) atomic junction model to address the thermal transport across an interface. With full con...

Using molecular simulations the interaction between a noncharged nanoparticle and an ideal liquid-liquid interface is studied. The free energy profile as function of nanoparticle-interface separation is determined using Wang-Landau sampling. Comparison between the simulation results and macroscopic theories shows that the latter give a poor description of the free energy profile. In particular,...

In this Brief Report, we perform molecular-dynamics simulations of an interface containing charged functional groups of different valences in contact with 2:1 ionic solution. We take into account both the finite sizes of the ions in solution and the functional groups but we neglect the structural details of the solvent (primitive model). We show that the interaction between a charged interface ...

X-ray scattering and interfacial tension measurements are used to demonstrate the formation of nanometer-thick aqueous films on aqueous bulk subphases from polymer-salt biphase mixtures. X-ray scattering determines a coupling constant that characterizes the coupled capillary wave fluctuations of the liquid-vapor and liquid-liquid interfaces of this thin film. These data also determine an effect...