Supercooled water and the kinetic glass transition.
Supercooled water and the kinetic glass transition.
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过冷水和动力学玻璃化转变。
DOI：
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发表时间：
1996
期刊：
影响因子：
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通讯作者：
Sow
中科院分区：
文献类型：
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作者：
F. Sciortino;P. Gallo;P. Tartaglia;Sow
我们对深度过冷液态水分子的自动力学进行了分子动力学研究。我们发现单粒子动力学相关函数的衰减的特征是快速初始弛豫到平台期和自相似动力学区域，随后是拉伸指数衰减。我们在过冷液体模式耦合理论的框架中解释了这些结果。我们将温度降低时水中传输系数的明显异常与笼的形成以及由于长寿命分子笼的存在而导致的相关缓慢动力学联系起来。因此，过冷水中所谓的临界安吉尔温度可以解释为动力学玻璃化转变温度，从而放宽了解释液态水异常的热力学奇点的需要。 @S1063-651X~96!09512-8#
We present a molecular-dynamics study of the self-dynamics of water molecules in deeply supercooled liquid states. We find that the decay of single-particle dynamics correlation functions is characterized by a fast initial relaxation toward a plateau and by a region of self-similar dynamics, followed at late times by a stretched exponential decay. We interpret such results in the framework of the mode-coupling theory for supercooled liquids. We relate the apparent anomalies of the transport coefficients in water on lowering the temperature to the formation of cages and to the associated slow dynamics resulting from the presence of long-lived molecular cages. The so-called critical Angell temperature in supercooled water could thus be interpreted as kinetic glass transition temperature, relaxing the need of a thermodynamic singularity for the explanation of the anomalies of liquid water. @S1063-651X~96!09512-8#