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首页> 外文期刊>The Journal of Chemical Physics >Spectral statistics of the quenched normal modes of a network-formingmolecular liquid
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Spectral statistics of the quenched normal modes of a network-formingmolecular liquid

机译:形成网络的分子液体的猝灭正态谱的光谱统计

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摘要

We evaluate the density of states of the quenched normal modes of ST2 water, and their statisticalfluctuations, for a range of densities spanning three regimes of behavior of a hydrogen bondedliquid: a lower-density regime of random tetrahedral network formation, in the vicinity of aliquid-liquid critical point, and in a higher-density regime of fragile glass-forming behavior. For allcases we find that the fluctuations around the mean spectral densities obey the predictions of theGaussian orthogonal ensemble of random matrix theory. We also measure the participation ratio ofthe normal modes across the entire frequency range, and find behavior consistent with the majorityof modes being of an extended nature, rather than localized.
机译:我们评估了ST2水淬灭正态模式的状态密度及其统计涨落,其范围涉及氢键液体行为的三种状态:一系列低密度状态,随机四面体网络形成,在液体附近-液体临界点,并且在较高密度的状态下易碎的玻璃形成行为。对于所有情况,我们发现平均频谱密度周围的波动服从随机矩阵理论的高斯正交系的预测。我们还测量了正常模式在整个频率范围内的参与率,并发现与大多数模式具有扩展性质而不是局部性质一致的行为。

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