ArticleNature communications2022
Thermodynamics of high-pressure ice phases explored with atomistic simulations.
Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 22 citations in OpenAlex.
- Ultrahigh pressure phase transition in ice.Nature materials · 2026Article
- Nanoconfined superionic water is a molecular superionic.Science advances · 2026Article
- Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions.Chemical reviews · 2025Review
- Dynamic-to-static switch of hydrogen bonds induces a metal-insulator transition in an organic-inorganic superlattice.Nature chemistry · 2024Article
- Phase transition kinetics of superionic HNature communications · 2024Article
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Authors and funding
6 authors at 4 institutions in 4 countries.
Funding
Abstract
Most experimentally known high-pressure ice phases have a body-centred cubic (bcc) oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning potential indicate that, amongst these bcc ice phases, ices VII, VII' and X are the same thermodynamic phase under different conditions, whereas superionic ice VII″ has a first-order phase boundary with ice VII'. Moreover, at about 300 GPa, the transformation between ice X and the Pbcm phase has a sharp structural change but no apparent activation barrier, whilst at higher pressures the barrier gradually increases. Our study thus clarifies the phase behaviour of the high-pressure ices and reveals peculiar solid-solid transition mechanisms not known in other systems.
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Registered trials
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