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Updated: Oct 31, 2025

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
Published on: August 18, 2022
Effect of interfacial dipole on heterogeneous ice nucleation
Hao Lu1, Quanming Xu1, Jianyang Wu1
1Department of Physics, Research Institute for Biomimetics and Soft Matter, Fujian Provincial Key Laboratory for Soft Functional Materials Research, Jiujiang Research Institute, Xiamen University, Xiamen, Fujian 361005, People's Republic of China.
Ice nucleation requires more than just lattice matching. Interfacial water molecule orientation, not just surface structure, is critical for ice formation on substrates.
Area of Science:
- Physical Chemistry
- Materials Science
- Crystallization
Background:
- Ice nucleation is crucial for various natural and industrial processes.
- Understanding substrate influence on ice formation is key to controlling crystallization.
- Lattice matching is a traditional factor considered in nucleation studies.
Purpose of the Study:
- To investigate the role of surface dipole strength and orientation in ice nucleation.
- To determine the critical factors beyond lattice matching for ice formation.
- To elucidate the molecular mechanisms of ice nucleation on surfaces.
Main Methods:
- Molecular dynamics simulations were employed.
- A rigid surface model with cubic zinc blende structure was used.
- Varying surface dipole strengths and orientations were simulated.
Main Results:
- Excellent lattice matching alone does not guarantee ice nucleation.
- Ice nucleation occurred only when interfacial water molecules adopted orientations similar to cubic ice.
- Unsuitable surface dipoles created significant free energy barriers for proper water molecule orientation.
Conclusions:
- Surface-induced molecular orientation is critical for ice nucleation.
- Beyond lattice match, interfacial water molecule orientation similarity is vital.
- This finding expands the understanding of heterogeneous ice nucleation mechanisms.
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