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Updated: May 9, 2026
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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
Liquid-liquid transition in supercooled water suggested by microsecond simulations
Summary
This study provides experimental evidence for a liquid-liquid phase transition in supercooled water, revealing distinct high-density liquid (HDL) and low-density liquid (LDL) phases. The findings support the existence of a critical point for water
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- The liquid-liquid phase transition (LLPT) in supercooled water is a proposed explanation for anomalous water behavior.
- Experimental verification of LLPT remains elusive, with theoretical simulations yielding contradictory results.
Purpose of the Study:
- To investigate the existence and characteristics of the putative liquid-liquid phase transition in supercooled water.
- To utilize the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL) for accurate simulations.
Main Methods:
- Molecular dynamics simulations employing the WAIL potential.
- Analysis of phase transitions in supercooled water under varying temperature and pressure conditions.
Main Results:
- A first-order phase transition was identified in the supercooled regime, with a critical point near 207 K and 50 MPa.
- Two distinct liquid phases were observed: high-density liquid (HDL) and low-density liquid (LDL).
- The LDL phase exhibits higher structural order than HDL and is not indicative of nanocrystalline ice.
Conclusions:
- The WAIL potential accurately predicts water properties and supports the LLPT theory.
- The study provides strong evidence for the existence of distinct LDL and HDL phases in supercooled water.
- The observed spontaneous transformation between LDL and HDL supports the phase transition model.
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