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首页> 外文期刊>Japanese Journal of Applied Physics. Part 1, Regular Papers, Brief Communications & Review Papers >Molecular Dynamics Study of Fictive Temperature Dependence of Density of Vitreous Silica
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Molecular Dynamics Study of Fictive Temperature Dependence of Density of Vitreous Silica

机译：虚构温度依赖于虚拟二氧化硅的分子动力学研究

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摘要

The fictive temperature T_F dependence of the density ρ of vitreous silica has been studied using a molecular dynamics simulation. The density slightly decreases with increasing T_F at T_F < T~*. At a T_F > T~*, the ρ-T_F curve becomes convex, which is qualitatively the same as the experimental evidence. The density at any T_F is greater than that before quenching, at which point the sample had been equilibrated at T = T_F. At T_F > T~*, the difference in the density at T_F and the correspsonding temperature T = T_F is rather large compared to those at T_F < T~*. This is due to the creation of overcoordinated structures.
机译：利用分子动力学模拟研究了虚拟温度T_F对玻璃化硅石密度ρ的依赖性。当T_F T〜*时，ρ-T_F曲线变为凸形，这在质量上与实验证据相同。在任何T_F处的密度均大于淬灭前的密度，此时样品已在T = T_F处达到平衡。在T_F> T〜*时，与在T_F

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