Molecular dynamics simulations of glasses

摘要: Abstract We present MD simulations of two glass-forming structures (Se and SiO2) at temperatures above below the glass transition. In both we find relaxations to be localized on a small number atoms. However, atoms involved in jumps jump-length grow with temperature. Se relaxing units form typically chain-like structures. SiO2-glasses observe that displacement oxygen is larger than corresponding Si contribution. these cases occur predominantly which are topological defects (under- or rarely over-coordinated).