Kinetics of the formation of pores and a change in the properties of materials in numerical models

详细

Vacancy-gas defects (VGDs) in thin layers of silicon carbide and a metal (SiC/Me) are formed upon 1–10-keV Xe⁺⁺ ion implantation as the result of a first-order phase transition. The nonequilibrium stage of this transition is modeled by stochastic processes of point-defect clustering and the Brownian motion of cluster centers of mass under the action of potentials of their indirect elastic interaction in the crystal lattices of materials. A numerical experiment for studying pore formation during ion implantation is constructed on the basis of kinetic theory. Stochastic molecular dynamics makes it possible to analyze the formation of pores depending on functions of the nonequilibrium distribution of VGD nucleus clusters over sizes and coordinates of the layer volume. An example of calculation for conditions of phase-transition fluctuation instability is given.