Statistical model for small clusters transforming from one isomer to another

Abstract

Based on the fact that the kinetic energy of one atom in small cluster still obeys the Boltzmann distribution, a statistical model is developed to predict the time consumed by a small cluster transforming from one isomer to another and is tested by vast molecular dynamics simulations of C(12) isomers transformation in helium gas at high temperatures (2000-3500 K). Extrapolating the model to lower temperatures, we found that the time for the most probable isomer of C(12) formed at 2500 K turning into the most stable one is more than 10(12) years at room temperature.