Matharoo Gurpreet S, Razul M Shajahan G, Poole Peter H
Department of Physics, St. Francis Xavier University, Antigonish, Nova Scotia B2G 2W5, Canada.
J Chem Phys. 2009 Mar 28;130(12):124512. doi: 10.1063/1.3099605.
We evaluate the density of states of the quenched normal modes of ST2 water, and their statistical fluctuations, for a range of densities spanning three regimes of behavior of a hydrogen bonded liquid: a lower-density regime of random tetrahedral network formation, in the vicinity of a liquid-liquid critical point, and in a higher-density regime of fragile glass-forming behavior. For all cases we find that the fluctuations around the mean spectral densities obey the predictions of the Gaussian orthogonal ensemble of random matrix theory. We also measure the participation ratio of the normal modes across the entire frequency range, and find behavior consistent with the majority of modes being of an extended nature, rather than localized.
我们评估了ST2水猝灭正则模的态密度及其统计涨落，研究范围涵盖了氢键液体三种行为状态下的一系列密度：随机四面体网络形成的低密度状态、液-液临界点附近以及易碎玻璃形成行为的高密度状态。对于所有情况，我们发现平均谱密度周围的涨落符合随机矩阵理论的高斯正交系综的预测。我们还测量了整个频率范围内正则模的参与率，发现其行为与大多数模具有扩展性质而非局域化相一致。
