ArticleNature2014
Metastable liquid-liquid transition in a molecular model of water.
Article in Nature, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 95 papers.
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Who cites it
95 citing papers in PubMed.
- Unravelling Water Anomalies Using a Percolation Approach.ACS omega · 2026Article
- Nuclear Quantum Effects Reshape Structural Signatures of Supercooled Water near the Liquid-Liquid Critical Region.The journal of physical chemistry. B · 2026Article
- Direct correspondence between liquid and glass polymorphism in densely packed metallic alloys.Nature communications · 2026Article
- Machine learning evaluation of structural descriptors for supercooled water.Communications chemistry · 2026Article
- Assessing Order in Liquid, Supercooled, and Crystalline Water.The journal of physical chemistry. B · 2026Article
- From Upconversion Nanoparticles to Proteins: Probing Hydration-Water Density Fluctuations by Luminescence Thermometry.Accounts of chemical research · 2026Article
- Direct observation of liquid-liquid phase coexistence in deeply supercooled water using an accurate polarizable multipole model.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Resolving Nanoslip, Solvation Inertia, and Charge Dynamics at Vibrating Solid-Liquid Interface.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Molecular Dynamics Simulations of Supercooled Aqueous Solutions of Calcium Perchlorate: Thermodynamics and Structure of Martian Solutes in TIP4P/2005 Water.The journal of physical chemistry. B · 2025Article
- Computational investigation of water glasses using machine-learning potentials.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Supercritical density fluctuations and structural heterogeneity in supercooled water-glycerol microdroplets.Nature communications · 2024Article
- Thermal Transport and Thermal Polarization of Water in the Supercooled Regime.The journal of physical chemistry letters · 2024Article
- Hierarchy of topological transitions in a network liquid.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Liquid-liquid transition and ice crystallization in a machine-learned coarse-grained water model.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Potential energy landscape of a flexible water model: Equation of state, configurational entropy, and Adam-Gibbs relationship.The Journal of chemical physics · 2024Article
- Deciphering Density Fluctuations in the Hydration Water of Brownian Nanoparticles via Upconversion Thermometry.The journal of physical chemistry letters · 2024Article
- A continuum of amorphous ices between low-density and high-density amorphous ice.Communications chemistry · 2024Article
- Calibrating TDDFT Calculations of the X-ray Emission Spectrum of Liquid Water: The Effects of Hartree-Fock Exchange.Journal of chemical theory and computation · 2023Article
- Thermodynamic anomalies, polyamorphism and all that.Philosophical transactions. Series A, Mathematical, physical, and engineering sciences · 2023Article
35 more citing papers are in PubMed but not listed here.
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in the ST2 model of water, and point to the separation of time scales between crystallization and relaxation as being crucial for enabling it.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.