Phase Behavior of Two-Dimensional Water Confined in Graphene Nanocapillaries

1. Front Matter

   Pages i-xvii

   PDF

2. Introduction

   • YinBo Zhu

   Pages 1-23

3. Methods and Models

   • YinBo Zhu

   Pages 25-33

4. Monolayer Square-Like Ice Between Two Graphene Sheets

   • YinBo Zhu

   Pages 35-47

5. Superheating Behavior of Monolayer Ice in Graphene Nanocapillaries

   • YinBo Zhu

   Pages 49-65

6. AB-Stacked and AA-Stacked Bilayer Ices in Graphene Nanocapillaries

   • YinBo Zhu

   Pages 67-87

7. Trilayer Ice in Graphene Nanocapillaries

   • YinBo Zhu

   Pages 89-99

8. Compression Limit of 2D Water in Graphene Nanocapillaries

   • YinBo Zhu

   Pages 101-113

9. Summary and Future Work

   • YinBo Zhu

   Pages 115-118

In this book, the authors use molecular dynamics simulations to conduct a comprehensive study of the compression/superheating limit and phase transition of 2D (monolayer, bilayer, and trilayer) water/ice constrained in graphene nanocapillaries. When subjected to nanoscale confinement and under ultrahigh pressure, water and ice behave quite differently than their bulk counterparts, partly because the van der Waals pressure can spark a water-to-ice transformation, known as the metastability limit of two-dimensional (2D) liquids. From a mechanical standpoint, this liquid-to-solid transformation characterizes the compression limit (or metastability limit) of 2D water. The findings presented here could help us to better understand the phase behavior of 2D confined water/ice.

• Two-dimensional water/ice
• confined water
• compression limit
• phase transition
• graphene nanocapillaries

• Department of Modern Mechanics, University of Science and Technology of China, Hefei, China

  YinBo Zhu

Dr. YinBo Zhu is an Associate Research Fellow at the University of Science and Technology of China. His research activities chiefly focus on the mechanical behavior and design of micro- and nanostructural materials, two-dimensional water, and mass transfer under nano-confinement.


Dr. Zhu completed his B.S. in Engineering Mechanics at North China University of Water Resources and Electric Power in 2013, and completed his Ph.D. (advisor: Prof. HengAn Wu) in Solid Mechanics at the Department of Modern Mechanics, University of Science and Technology of China, in 2017.


He was subsequently a Postdoctoral Fellow (under the supervision of Prof. HengAn Wu) at the Department of Modern Mechanics, University of Science and Technology of China, from 2017 to 2019, prior to assuming his current position.

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