arXiv subjects

Mengshan Suo

Publications and source records attributed to Mengshan Suo.

4 recordsLinked to original sources

arXiv2026

Correlation between 2D Square Ice and 3D Bulk Ice by Critical Crystallization Pressure

Low-dimensional ice trapped in nanocapillaries is a fascinating phenomenon and is ubiquitous in our daily lives. As a decisive factor of the confinement effect, the size of nanocapillary significantly affects the critical crystallization pressure and crystalline structure, especially for multi-layered ices. By choosing square ice as a typical two-dimensional (2D) multi-layered ice pattern and using all-atom molecular dynamics simulations, we further unveil the variation mechanism of critical crystallization pressure with the nanocapillary size. The results show a strong dependence of the critical crystallization pressure on the size of the graphene sheet for monolayer, bilayer, and trilayer square ice. The quasi-macroscopic crystallization pressure, the actual pressure of water molecules, and the freezable region between them are all strongly dependent on the nanocapillary width. As the size of the capillary becomes larger in all three directions, the critical crystallization pressure converges to the true macroscopic crystallization pressure, which is very close to the value of the crystallization pressure for bulk ice. A direct correlation is established between 2D square ice and three-dimensional (3D) bulk ice by the critical crystallization pressure. There is an unfreezable threshold for crystallizing spontaneously in practice when the quasi-macroscopic crystallization pressure is equal to the actual pressure, which can explain the limit of nanocapillary width for multi-layered ice.

physics.chem-ph↗

arXiv2025

Two-phase flow in porous metal foam flow fields of PEM fuel cells

Porous metal foam (PMF) flow field is a potential option for proton exchange membrane fuel cells (PEMFCs) due to its excellent capabilities in gas distribution and water drainage. However, the gas-liquid two-phase flow in the PMF flow field on the pore scale is still unclear. In this study, we investigate the gas-liquid two-phase flow in the PMF flow field. Film, plug, and ligament flows are found in the hydrophilic PMF flow field, while slug and droplet flows are found in the hydrophobic PMF flow field. The results suggest that optimizing the pore size, increasing the metal foam surface hydrophobicity, and optimizing the operating condition are helpful for the water management of the PMF flow field. The frequency analysis of the pressure drop also shows that the dominant frequency can be used as an indicator to analyze the transition between different flow patterns.

physics.flu-dyn↗

arXiv2023

Variation of Critical Crystallization Pressure for the Formation of Square Ice in Graphene Nanocapillaries

Two-dimensional square ice in graphene nanocapillaries at room temperature is a fascinating phenomenon and has been confirmed experimentally. Instead of temperature for bulk ice, the high van der Waals pressure becomes an all-important factor to induce the formation of square ice and needs to be studied further. By all-atom molecular dynamics simulations of water confined between two parallel graphene sheets, which are changed in size (the length and the width of the graphene sheets) over a wide range, we find that the critical crystallization pressure for the formation of square ice in nanocapillary strongly depends on the size of the graphene sheet. The critical crystallization pressure slowly decreases as the graphene size increases, converging to approximately macroscopic crystallization pressure. The unfreezable threshold for graphene size is obtained by estimating the actual pressure and it is difficult to form the square ice spontaneously in practice when the graphene sheet is smaller than the threshold. Moreover, the critical crystallization pressure fluctuates when the graphene size is minuscule, and the range of oscillation narrows as the sheet size increases, converging to the macroscopic behavior of a single critical icing pressure for large sheets. The graphene size also affects the stability and crystallization time of square ice.

physics.flu-dyn↗

arXiv2022

Two-dimensional partitioned square ice confined in graphene/graphite nanocapillaries

As one of the most fascinating confined water/ice phenomena, two-dimensional square ice has been extensively studied and experimentally confirmed in recent years. Apart from the unidirectional homogeneous square icing patterns considered in previous studies, the multidirectional partitioned square icing patterns are discovered in this study and characterized by molecular dynamics (MD) simulations. Square icing parameters are proposed to quantitatively distinguish the partitioned patterns from the homogeneous patterns and the liquid water. The number of graphene monolayers n is varied in this study, and the results show that it is more energetically favorable to form partitioned square icing patterns when the water molecules are confined between graphite sheets (n >= 2) compared to graphene (n = 1). This phenomenon is insensitive to n as long as n >= 2, because of the short-range nature of the interaction between water molecules and the carbon substrate. Moreover, it is energetically unfavorable to form partitioned square icing patterns for a single layer of water molecules even for n >= 2, verifying that the interaction between layers of water molecules is another dominant factor in the formation of partitioned structures. The conversion from partitioned structure to homogenous square patterns is investigated by changing the pressure and the temperature. Based on the comprehensive MD simulations, this study unveils the formation mechanism of the partitioned square icing patterns.

physics.flu-dyn↗