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Structure and Phase Boundaries of Compressed Liquid Hydrogen

Isaac Tamblyn and Stanimir A. Bonev
Phys. Rev. Lett. 104, 065702 – Published 11 February 2010
Physics logo See Synopsis: Ordering in hydrogen under high pressure
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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.

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  • Received 9 July 2009

DOI:https://doi.org/10.1103/PhysRevLett.104.065702

©2010 American Physical Society

Synopsis

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Ordering in hydrogen under high pressure

Published 16 February 2010

Molecular dynamics studies indicate a new phase of liquid hydrogen under high pressure.

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Authors & Affiliations

Isaac Tamblyn* and Stanimir A. Bonev

  • Department of Physics, Dalhousie University, Halifax, NS, B3H 3J5, Canada

  • *itamblyn@dal.ca
  • stanimir.bonev@dal.ca

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Issue

Vol. 104, Iss. 6 — 12 February 2010

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