Molecular dynamics simulation for glass transition in atomic liquids

摘要

Tomida et al (Phys. Rev. B52, 3290(1995) did molecular dynamics simulations of monatomic liquids interacting via a modifed Johnson potential to investigate the structure of liquids and the microscopic mechanism of the glass transition. They proposed that there occur icosahedral clusters during the glass transition. However, we study to structure of liquids interacting via Dzugutov potential during cooling by molecular dynamics simulation. According to our current results, it seems difficult to say that there occur icosahedral clusters during glass transition. Therefore, there needs more work on this field to conform the porposal by Tomida et al.