THE STRUCTURAL AND DYNAMIC PROPERTIES OF COBALT METAL UNDER TEMPERATURE

Abstract

In this paper, cobalt metal is investigated by molecular dynamics (MD) simulation with the Pak–Doyam potential. The models of cobalt metal are constructed in a wide temperature range. The simulation reveals that the cobalt metal may exist in three phases: amorphous, nano-crystalline and liquid in the temperature range from 200 K to 1500 K. The structure of obtained models Co is analyzed through the radial distribution function (RDF), coordination number distribution and dependence of the Wendt–Abraham ratio defined as g min /g max under temperature. The simulation found a large number of native vacancies depending on the relaxation degree. The number of these native vacancies can play a role of diffusion vehicle for cobalt atom in amorphous matrix. The diffusion coefficient of cobalt atom in liquid and amorphous phases is evaluated by Einstein equation and concentration of native vacancies.