title: Molecular dynamics study of aging effects in supercooled Al2 O3.
abstract: Using molecular dynamics simulations we investigated the effect of aging on static and dynamic properties of supercooled Al2 O3 models at the temperatures of 2100 K and 5600 K . Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions with Born-Mayer type pair potentials. We obtain the changes as a function of time for the total energy and density of the system. The aging time dependence of partial radial distribution functions (PRDFs), coordination number distributions and bond-angle distributions has been studied. We compare the PRDFs for the 10% most mobile Al or O atoms with the corresponding mean PRDFs. We find the effect of aging on the dynamical heterogeneities in the system. Al and O atoms show similar dynamical heterogeneities but with a differing rate of changes during aging. Furthermore, we also find significant aging effects in mean-squared atomic displacement and diffusion constant.
authors.affiliation: Department of Physics, College of Natural Sciences, HochiMinh City National University, 227 Nguyen Van Cu Str., Distr. 5, HochiMinh City, Vietnam. vohoang2002@yahoo.com
authors.forename: Vo Van
authors.initials: VV
authors.lastname: Hoang
authors.forename: Suhk Kun
authors.initials: SK
authors.lastname: Oh