Bulletin of the American Physical Society
22nd Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 67, Number 8
Monday–Friday, July 11–15, 2022; Anaheim, California
Session Y03: Molecular Dynamics-Driven Property Predictions
9:15 AM–10:45 AM,
Friday, July 15, 2022
Anaheim Marriott
Room: Platinum 1
Chair: Mary Alice Cusentino, Sandia National Laboratories
Abstract: Y03.00001 : Phase behavior of super-ionic water at planetary conditions.*
9:15 AM–9:45 AM
Presenter:
Sebastien Hamel
(Lawrence Livermore Natl Lab)
Author:
Sebastien Hamel
(Lawrence Livermore Natl Lab)
We predict that close-packed superionic phases, which have a fraction of mixed stacking for finite systems, are stable over a wide temperature and pressure range, while a body-centered cubic superionic phase is only thermodynamically stable in a small window but is kinetically favored. Our phase boundaries, which are consistent with the existing-albeit scarce-experimental observations, help resolve the fractions of insulating ice, different superionic phases, and liquid water inside of ice giants.
*This work was performed under the auspices of the U.S. Department of Energy by LawrenceLivermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by LLNL LDRD program 19-ERD-031.
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