Molecular Dynamics Study of Fictive Temperature Dependence of Density of Vitreous Silica

概要

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The fictive temperature $T_{\text{F}}$ dependence of the density $\rho$ of vitreous silica has been studied using a molecular dynamics simulation. The density slightly decreases with increasing $T_{\text{F}}$ at $T_{\text{F}}<T^{*}$. At a $T_{\text{F}}>T^{*}$, the $\rho$–$T_{\text{F}}$ curve becomes convex, which is qualitatively the same as the experimental evidence. The density at any $T_{\text{F}}$ is greater than that before quenching, at which point the sample had been equilibrated at $T=T_{\text{F}}$. At $T_{\text{F}}>T^{*}$, the difference in the density at $T_{\text{F}}$ and the correspsonding temperature $T=T_{\text{F}}$ is rather large compared to those at $T_{\text{F}}<T^{*}$. This is due to the creation of overcoordinated structures.
INSTITUTE OF PURE AND APPLIED PHYSICSの論文
2005-10-15