Abstract:
A study on the dynamic of point defects in crystal structure was numerically conducted in order to observe their transients. It was found that when a single vacancy defect occurred in an initially perfect FCC-crystal structure, the average atomic volume was suddenly increased and then gradually decreased down to the value close to the initial value. In case of multiple vacancies at the same position with the number of vacancies up to 5, the results showed that the average atomic volumes at the beginning were very similar. However, the system with the higher number of point defects tended to approach the equilibrium faster and had the larger average atomic volume compared with the system with the lower number of point defects.
