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Structure and phase boundaries of compressed liquid hydrogen

From National Research Council Canada

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DOIResolve DOI: https://doi.org/10.1103/PhysRevLett.104.065702
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FormatText, Article
Abstract
We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this ordering and the structure emerging near the dissociation transition provide an explanation for the sharpness of the molecular-atomic crossover and the concurrent pressure drop at high pressures. Our findings have nontrivial implications for simulations of hydrogen; previous equation of state data for the molecular liquid may require revision. Arguments for the possibility of a first order liquid-liquid transition are discussed.
Publication date
PublisherAmerican Physical Society
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  • Physical Review Letters 104, no. 6.
LanguageEnglish
Peer reviewedYes
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This is a non-NRC publication

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NPARC number23003166
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Record identifier7fcc1362-71f7-4d20-9667-7e9d72c99577
Record created2018-05-03
Record modified2020-05-30
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