Literature DB >> 25165937

Decomposition and Terapascal phases of water ice.

Chris J Pickard1, Miguel Martinez-Canales1, Richard J Needs2.   

Abstract

Computational searches for stable and metastable structures of water ice and other H:O compositions at TPa pressures have led us to predict that H(2)O decomposes into H(2)O(2) and a hydrogen-rich phase at pressures of a little over 5 TPa. The hydrogen-rich phase is stable over a wide range of hydrogen contents, and it might play a role in the erosion of the icy component of the cores of gas giants as H(2)O comes into contact with hydrogen. Metallization of H(2)O is predicted at a higher pressure of just over 6 TPa, and therefore H(2)O does not have a thermodynamically stable low-temperature metallic form. We have also found a new and rich mineralogy of complicated water ice phases that are more stable in the pressure range 0.8-2 TPa than any predicted previously.

Entities:  

Year:  2013        PMID: 25165937     DOI: 10.1103/PhysRevLett.110.245701

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  10 in total

1.  Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressures.

Authors:  Matthew J Lyle; Chris J Pickard; Richard J Needs
Journal:  Proc Natl Acad Sci U S A       Date:  2015-05-19       Impact factor: 11.205

2.  Stabilization of ammonia-rich hydrate inside icy planets.

Authors:  Victor Naden Robinson; Yanchao Wang; Yanming Ma; Andreas Hermann
Journal:  Proc Natl Acad Sci U S A       Date:  2017-08-07       Impact factor: 11.205

3.  The phase diagram of high-pressure superionic ice.

Authors:  Jiming Sun; Bryan K Clark; Salvatore Torquato; Roberto Car
Journal:  Nat Commun       Date:  2015-08-28       Impact factor: 14.919

4.  Crystal Structure of the ZrO Phase at Zirconium/Zirconium Oxide Interfaces.

Authors:  Rebecca J Nicholls; Na Ni; Sergio Lozano-Perez; Andrew London; David W McComb; Peter D Nellist; Chris Rm Grovenor; Chris J Pickard; Jonathan R Yates
Journal:  Adv Eng Mater       Date:  2014-06-27       Impact factor: 3.862

5.  Structural and configurational properties of nanoconfined monolayer ice from first principles.

Authors:  Fabiano Corsetti; Paul Matthews; Emilio Artacho
Journal:  Sci Rep       Date:  2016-01-05       Impact factor: 4.379

6.  Emergence of superconductivity in doped H2O ice at high pressure.

Authors:  José A Flores-Livas; Antonio Sanna; Miglė Graužinytė; Arkadiy Davydov; Stefan Goedecker; Miguel A L Marques
Journal:  Sci Rep       Date:  2017-07-28       Impact factor: 4.379

7.  The High-Pressure Superconducting Phase of Arsenic.

Authors:  Prutthipong Tsuppayakorn-Aek; Wei Luo; Rajeev Ahuja; Thiti Bovornratanaraks
Journal:  Sci Rep       Date:  2018-02-14       Impact factor: 4.379

8.  Mapping uncharted territory in ice from zeolite networks to ice structures.

Authors:  Edgar A Engel; Andrea Anelli; Michele Ceriotti; Chris J Pickard; Richard J Needs
Journal:  Nat Commun       Date:  2018-06-05       Impact factor: 14.919

9.  Formation of ammonia-helium compounds at high pressure.

Authors:  Jingming Shi; Wenwen Cui; Jian Hao; Meiling Xu; Xianlong Wang; Yinwei Li
Journal:  Nat Commun       Date:  2020-06-22       Impact factor: 14.919

10.  Structural prediction of host-guest structure in lithium at high pressure.

Authors:  Prutthipong Tsuppayakorn-Aek; Wei Luo; Teeraphat Watcharatharapong; Rajeev Ahuja; Thiti Bovornratanaraks
Journal:  Sci Rep       Date:  2018-03-27       Impact factor: 4.379

  10 in total

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