中国物理B ›› 2017, Vol. 26 ›› Issue (10): 106401-106401.doi: 10.1088/1674-1056/26/10/106401

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Layering of confined water between two graphene sheets and its liquid-liquid transition

Xuyan Zhou(周戌燕), Yunrui Duan(段云瑞), Long Wang(王龙), Sida Liu(刘思达), Tao Li(李涛), Yifan Li(李一凡), Hui Li(李辉)   

  1. Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Ji'nan 250061, China
  • 收稿日期:2017-06-13 修回日期:2017-07-22 出版日期:2017-10-05 发布日期:2017-10-05
  • 通讯作者: Hui Li E-mail:lihuilmy@hotmail.com
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant No. 51271100), the National Key Research Program of China (Grant No. 2016YFB0300501), and the Taishan Scholar Construction Engineering.

Layering of confined water between two graphene sheets and its liquid-liquid transition

Xuyan Zhou(周戌燕), Yunrui Duan(段云瑞), Long Wang(王龙), Sida Liu(刘思达), Tao Li(李涛), Yifan Li(李一凡), Hui Li(李辉)   

  1. Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Ji'nan 250061, China
  • Received:2017-06-13 Revised:2017-07-22 Online:2017-10-05 Published:2017-10-05
  • Contact: Hui Li E-mail:lihuilmy@hotmail.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant No. 51271100), the National Key Research Program of China (Grant No. 2016YFB0300501), and the Taishan Scholar Construction Engineering.

摘要:

Molecular dynamics (MD) simulations are performed to explore the layering structure and liquid-liquid transition of liquid water confined between two graphene sheets with a varied distance at different pressures. Both the size of nanoslit and pressure could cause the layering and liquid-liquid transition of the confined water. With increase of pressure and the nanoslit's size, the confined water could have a more obvious layering. In addition, the neighboring water molecules firstly form chain structure, then will transform into square structure, and finally become triangle with increase of pressure. These results throw light on layering and liquid-liquid transition of water confined between two graphene sheets.

关键词: confined water, layering, liquid-liquid transition

Abstract:

Molecular dynamics (MD) simulations are performed to explore the layering structure and liquid-liquid transition of liquid water confined between two graphene sheets with a varied distance at different pressures. Both the size of nanoslit and pressure could cause the layering and liquid-liquid transition of the confined water. With increase of pressure and the nanoslit's size, the confined water could have a more obvious layering. In addition, the neighboring water molecules firstly form chain structure, then will transform into square structure, and finally become triangle with increase of pressure. These results throw light on layering and liquid-liquid transition of water confined between two graphene sheets.

Key words: confined water, layering, liquid-liquid transition

中图分类号:  (Liquid-liquid transitions)

  • 64.70.Ja
64.70.Nd (Structural transitions in nanoscale materials) 64.70.pm (Liquids)