Related papers: Self-diffusion and structural properties of confin…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
In this report the radial distribution functions (RDFs) of liquid water are calculated on the basis of the classical density functional theory combined with the reference interaction site model for molecular liquids. The bridge functions,…
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…
Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the…
The single-particle and collective dynamical properties of liquid lithium have been evaluated at several thermodynamic states near the triple point. This is performed within the framework of mode-coupling theory, using a self-consistent…
We report the results of calculation of diffusion coefficients for Lennard-Jones liquids, based on the idea of time-scale invariance of relaxation processes in liquids. The results were compared with the molecular dynamics data for…
The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nano-sized spherical cavities at constant chemical potential was determined using Monte Carlo simulations. The results describe both a…
We study a one-dimensional reaction-diffusion system which describes an isothermal autocatalytic chemical reaction involving both a quadratic (A + B -> 2B) and a cubic (A + 2B -> 3B) autocatalysis. The parameters of this system are the…
Fluidity, the ability of liquids to flow, is the key property distinguishing liquids from solids. This fluidity is set by the mobile transit atoms moving from one quasi-equilibrium point to the next. The nature of this transit motion is…
We present a study of self-driven flow dynamics at the liquid-gas interface within nanofluidic pores, devoid of any external driving forces. The investigation centres on the Rayleigh-Taylor instability phenomena occurring in sub-100…
The distribution function of suprathermal ions is found to be self-similar under conditions relevant to inertial confinement fusion hot-spots. By utilizing this feature, interference between the hydro-instabilities and kinetic effects is…
Low Reynolds number direct simulations of large populations of hydrodynamically interacting swimming particles confined between planar walls are performed. The results of simulations are compared with a theory that describes dilute…
DNS and laboratory experiments show that the spatial distribution of straining stagnation points in homogeneous isotropic 3D turbulence has a fractal structure with dimension D_s = 2. In Kinematic Simulations the time exponent gamma in…
We study the dynamical regimes of a density-stratified fluid confined between isothermal no-slip top and bottom boundaries (at temperatures $T_t$ and $T_b$) via direct numerical simulation. The thermal expansion coefficient of the fluid is…
We show, using molecular dynamics simulations, that a two-dimensional Lennard-Jones solid is subject to droplet fluctuations characterized by {\em non-affine} deviations from local crystallinity. The fraction of particles in these droplets…
Discrete element method simulations of confined bidisperse granular shear flows elucidate the balance between diffusion and segregation that can lead to either mixed or segregated states, depending on confining pressure. Results indicate…
We present a computer simulation study of a (6,12)-Lennard-Jones fluid confined to a slit pore, formed by two uniform planes. These interact via a (3,9)-Lennard-Jones potential with the fluid particles. When the fluid approaches the…
We report a new phenomenon, called self-recovery, in the process of diffusion in a region with boundary. Suppose that a diffusing quantity is uniformly distributed initially and then gets excited by the change in the boundary values over a…