111 Improvement of Extended Tersoff Iteratomic Potential Parameters for Strength Analysis of SiO_2 Taking Environmental Effects into Account

Abstract

The parameter values of the extended Tersoff interatomic potential function applicable to strength analysis taking the effects of evironment into account is improved. Properties of Si, O_2, H_2, H_2O, SiH_4, and SiO_2 (α-quartz, α-crystbalite, β-quartz, and β-crystbalite) are calculated by using this parameter values. It is found that the calculated values of the properties coincide well with the experimental values.