Paper題目

Tetrahedral structure of supercooled water at ambient pressure and its influence on dynamic relaxation: Comparative study of water models

相關連結

1. Paper PDF檔 2. Paper連接 3. 交大物理所paper介紹 4. Prof. T.-M. Wu 網站 5. Prof. S. Saito 網站 6. X-Mol學術 7. 科學推展中心 8. LAMMPS官網Paper簡介

期刊

Journal of Molecular Liquids Impact Factor: 6.165

作者

Yu-Wei Kuo, Ping-Han Tang, Hao Wang, Ten-Ming Wu, Shinji Saito

Paper公開日期

2021.08.25

介紹

這篇paper最主要的研究是過冷水，過冷水是水在溫度低於攝氏0度，但還沒結冰的時候，水的物理性質，此時水可以被分為高密度水跟低密度水，高密度水跟低密度水之間有一條分界線，稱為Widom Line，Widom Line是在水溫幾度時可以被發現？這篇paper提出了一些方法i，並且採用了兩種模型SPC/E跟TIP4P/2005，比較了兩個模型的結果。

過冷水介紹視頻

引用本文的著作

1. Viscosity in water from first-principles and deep-neural-network simulations

2. Bond Orientational Order Parameters for Classifying Solid-like Clusters in a Lennard-Jones System near Liquid−Solid Transition and at Solid States

3. Optical Kerr Effect and Structural Tetrahedrality of Supercooled Water at Ambient Pressure

4. Green-Kubo simulation of transport properties: from ab initio to neural-network molecular dynamics

5.Machine learning-generated TIP4P-BGWT model for liquid and supercooled water

6.Unraveling the dynamic slowdown in supercooled water: The role of dynamic disorder in jump motions