Understanding the glass transition of water is still a major scientific challenge. Here we propose a dynamic density functional renormalization group approach to analyze the liquid–liquid phase transitions and diffusion dynamics of water molecules under supercooling condition. We find that, as the temperature approaches the glass transition point, the metastable phase transition displays the confined critical scaling behavior, and the dynamic correlation length actually diverges simultaneously. The predicted glass temperature is 142.5 K, close to the experimental value of 136 K. These results suggest a deep coupling feature of the thermodynamic and dynamical heterogeneities during the glass transition of supercooled water.

了解水的玻璃化转变仍然是一项重大的科学挑战。在这里，我们提出了一种动态密度泛函重整化组方法来分析过冷条件下水分子的液相-液相转变和扩散动力学。我们发现，当温度接近玻璃化转变温度时，亚稳态相变显示出有限的临界结垢行为，而动态相关长度实际上同时发散。预测的玻璃温度为142.5 K，接近实验值136K。这些结果表明，过冷水的玻璃化转变过程中热力学和动力学非均质性具有深层耦合特征。