Molecular dynamic modeling of thermal hysteresis of gold

Molecular dynamics (MD) modeling of the thermal hysteresis of pure metallic gold (Au) is considered in order to study nonequilibrium processes during melting - crystallization phase transformations, i.e. in the transition from solid to liquid. The results of alternative calculations are presented, in which the thermal hysteresis is obtained. The limiting temperatures of overheating of the solid phase during melting and supercooling of the liquid phase during the crystallization of gold have been obtained. The possibility of the formation of highly superheated metastable states of the solid phase upon rapid heating of Au has been confirmed.

Влияние кислородных вакансий на формирование и структуру филамента в мемристорах на основе диоксида кремния

The improvement of the parameters of the SiO2-based memristor is found when creating displacement cascades in the near-surface layer of a silicon dioxide film by irradiation with Xe+ ions. Molecular dynamic modeling of the structure of amorphous SiO2 enriched with oxygen vacancies has shown the possibility of nucleation of silicon nanoclusters, which can play a significant role in the formation and evolution of current conducting paths (filaments) and thereby affect the parameters of the memristor.