No abstract

Simulation of the pore formation process in a simple one-component system was performed. As the initial configuration of the system a crystal with FCC lattice was used. Pore formation and evolution were observed during isochoric melting of the crystal and subsequent fluid simulation.

The collective particle dynamics of supercritical Lennard-Jones fluid is investigated on the basis of molecular dynamic modeling data. The intermediate scattering functions and dynamic structure factor spectra for the wavenumber range k ∈ [0.18; 3.26] σ−1 were calculated. The characteristics of dynamic structure factor spectra such as the thermal diffusivity and the sound velocity were estimated.