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High temperature Raman analysis of hydrogen phase IV from molecular dynamics

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Original languageEnglish
Title of host publication18TH APS-SCCM AND 24TH AIRAPT, PTS 1-19
EditorsW Buttler, M Furlanetto, W Evans
Place of PublicationBRISTOL
PublisherIOP Publishing Ltd.
Number of pages6
DOIs
Publication statusPublished - 2014
Event18th Joint Int Conf of the APS Topical-Grp on Shock Compress of Condensed Matter / 24th Int Conf of the Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol - Seattle, United Kingdom
Duration: 7 Jul 201312 Jul 2013

Publication series

NameJournal of Physics Conference Series
PublisherIOP PUBLISHING LTD
Volume500
ISSN (Print)1742-6588

Conference

Conference18th Joint Int Conf of the APS Topical-Grp on Shock Compress of Condensed Matter / 24th Int Conf of the Int-Assoc-for-the-Advancement-of-High-Pressure-Sci-and-Technol
CountryUnited Kingdom
Period7/07/1312/07/13

Abstract

We extend our previous studies on phase IV of solid hydrogen by employing larger cells and k-sampling. We show that uncorrelated hexagonal rotations in the weakly bounded G ''-layers are needed to account for the experimentally measured Raman spectrum. In large simulations we find no evidence of proton diffusion or layer fluctuations, which we believe are the result of finite size effects. In calculations at higher pressures (above 400 GPa) we identify a new possible candidate for phase IV. We, finally, proposed a revised phase diagram based on our previous and present results.

    Research areas

  • SOLID HYDROGEN

ID: 16870512