Using a simplified model of a dissipative discrete-particle fluid we study the formation of surface waves under vertical vibration. The only dissipative forces included in this two-dimensional molecular dynamics simulation act normally to the line of contact during collisions; transverse...

Spinodal decomposition in a three-dimensional Lennard–Jones system with one million particles is studied via molecular dynamics simulations. The interfacial width in the system is about 40 times smaller than the linear system dimension, i.e., the system size therefore is comparable to recent...

Three-dimensional ruptures in both thin films on plates and free thin films have been studied, using molecular dynamics simulations. The rupture process simulated in this work is divided into two stages. They are the stage from the initial equilibrium state to the occurrence of the rupture and...

Electro-osmotic flow of an aqueous solution of NaCl has been studied using the molecular dynamics simulation. The main objective of this work is to investigate the effects of the electric field and temperature on the flow properties considering the role of the stern layer. By increasing any of...

Using modified analytic embedded atom method and molecular dynamics (MDs) simulation, the self-diffusion dynamics behaviors of Pd adatom on perfect Pd(110) and reconstruction Pd(110)-(1 × 2) surfaces have been studied. Our simulations show the diffusion of Pd adatom is 1D motion along the...

Adhesion forces of Dipalmitoylphosphatidylcholine (DPPC) membrane in the gel phase are investigated by molecular dynamics (MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane....

In the present paper, we review the consistent definition of macroscopic total energy in classical fluid mechanics, as a function of the microscopic canonical Hamiltonian field, based on a Lennard-Jones model with some spatially varying external field. The macroscopic total energy (sum of...

Statistical fluctuations of a system about its equilibrium state, monitored in a molecular dynamics simulation, are an effective means of computing the thermodynamic and kinetic properties of interfaces in metals and alloys. In this work, three applications of fluctuation analyses are reviewed....

Wetting and drying of a rigid substrate by a Lennard–Jones fluid in molecular dynamics simulations is reported. The size of the substrate particles, being smaller than the fluid particles in former simulations, is now taken to be equal to, respectively, larger than, that of the fluid...

We study phase transitions of two-dimensional Lennard-Jones drops. A wide excitation energy range is studied, which encompasses the solid-like to liquid-like phase transition, the weakly evaporating liquid drop and multifragmentation. We are able to calculate the caloric curve for the whole...