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The dispersion of vibrational excitations in vitreous silica

机译:振动激发在玻璃硅中的分散

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A numerical vibrational-mode analysis has been performed for two structural models of vitreous silica constructed by molecular dynamics using the Tsuneyuki et al. and van Beest et al. interatomic potentials. Traces of 'phonons' are found from a Fourier analysis of the vibrational eigenmodes, and the related dispersion laws, for both longitudinal and transverse vibrations, have been calculated. Dispersion curves, associated with remnants of phonon-like behaviour, exhibit pseudozone boundaries, revealing evidence for two pseudoperiods in the structure, the dominant pseudoperiod being equal to the height of SiO4 tetrahedra, and the other to the corresponding height of oxygen-decorated SiSi4 tetrahedra. [References: 36]
机译:已经使用Tsuneyuki等人对通过分子动力学构建的两个玻璃态二氧化硅结构模型进行了数值振动模式分析。和van Beest等。原子间势。从振动本征模的傅立叶分析中可以找到“声子”的痕迹,并且已经计算了纵向和横向振动的相关色散定律。与声子样行为残留相关的色散曲线显示出伪区域边界,揭示了结构中两个伪周期的证据,主要伪周期等于SiO4四面体的高度,另一个与氧装饰的SiSi4四面体的相应高度相同。 。 [参考:36]

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