Molecular dynamics calculation of the sticking coefficient of gases to surfaces

The Molecular dynamics method has been employed to calculate the sticking coefficient of He, Ar and CO₂ molecules to the surface and of carbon clusters to the graphite surface. The computed coefficients are compared with experimental results.     

Molecular kinetics of cluster formation in the dense fluids

In this paper we report on molecular dynamics (MD) simulations of the cluster formation kinetics in dense systems. We suggest a cluster identification procedure for dense systems that takes into account the interactions between particles. Problems of cluster existence in unsaturated compressed gas are considered and cluster formation in saturated compressed gas is studied. Molecular dynamics models of adsorbed gas condensation on the surface and the kinetics of the adsorption layer formation have been considered.     

Molecular dynamics simulation of thin film formation by energetic cluster impact (ECI)

Langevin Molecular Dynamics Simulations have been performed in order to understand thin film formation by impact of energetic clusters. The impact of Mo₁₀₂₄ clusters on a Mo surface is simulated at kinetic energies between 1 and 10 eV per atom. The results are in qualitative agreement with the experiments. Due to the high temperature induced locally at the impact zone, the method can be used to form compact, smooth, and strongly adhering thin films on room temperature substrates.     

Thermodynamic Functions of Nonideal Alkali Plasmas

The thermodynamic functions are analyzed on the basis of the present theoretical knowledge. Padé approximations are constructed which have the correct limiting behaviour: Debye law with quantum corrections in the high temperature limit, Gell-Mann-Brueckner law and Madelung law in the low-temperature limit. The region of partial ionization (bound state valley in the n-T-plane) is studied by using the mass action law.     

The kinetics of condensation behind the shock front

The growth and evaporation of clusters is considered in the frame of a quasichemical model of condensation. The rate coefficients of growth and evaporation reactions are calculated using the molecular dynamics method. Condensation of supersaturated Fe vapor behind the shock front is studied. For an explanation of known experimental data the chemical mechanism of dimer formation is considered. Probabilities of dimerization are calculated using the molecular dynamics method. Calculated values of the characteristic time of condensation are in satisfactory agreement with experiment.