Rotational Dynamics of Plastic Ice.
Rotational Dynamics of Plastic Ice.
复制标题
塑料冰的旋转动力学。
DOI：
10.1143/jpsjs.81sa.sa023
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发表时间：
2012
期刊：
影响因子：
--
通讯作者：
and H. Tanaka
中科院分区：
文献类型：
--
作者：
K. Himoto;M. Matsumoto;and H. Tanaka
预测存在于结晶冰VII和液态水之间的塑性相已经被研究。本工作的重点是水分子在高温高压下的动力学，即，冰VII、塑料冰和液态水。提供氢键的寿命的氢键相关函数进行比较的reorientational相关函数，以检查一个单独的分子的旋转和充满活力的弛豫过程之间的关系。塑料冰的氢键相关函数以类似于液体的方式衰减，但它收敛到一个有限的值，如在冰VII中所见，反映了水分子在固定位置的旋转运动。此外，松弛时间的两个相关函数的塑料冰彼此相似，证实了这样一个事实，即只有旋转运动调用塑料冰中的氢键重排。
A plastic phase predicted to exist between crystalline ice VII and liquid water has been investigated. The present work focuses on the dynamics of the water molecules in the phases at high temperature and pressure, i.e., ice VII, plastic ice, and liquid water. The hydrogen-bond correlation function providing the lifetime of hydrogen bonds is compared to the reorientational correlation function to examine a relation between a rotation of an individual molecule and an energetic relaxation process. The hydrogen-bond correlation function of plastic ice decays in a way similar to liquid but it converges to a finite value as seen in ice VII, reflecting the rotational motion of the water molecule at the fixed location. In addition, the relaxation times of the two correlation functions for plastic ice resemble one another, confirming the fact that only the rotational motion invokes the hydrogen-bond rearrangements in plastic ice.