4.7 Article

A note on the metallization of compressed liquid hydrogen

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 13, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3369625

关键词

ab initio calculations; dissociation; hydrogen; hydrogen bonds; metal-insulator transition; molecular dynamics method; phase diagrams

资金

  1. NSERC
  2. CFI
  3. Killam Trusts
  4. Lawrence Livermore National Laboratory [DE-AC52-07NA27344]

向作者/读者索取更多资源

We examine the molecular-atomic transition in liquid hydrogen as it relates to metallization. Pair potentials are obtained from first principles molecular dynamics and compared with potentials derived from quadratic response. The results provide insight into the nature of covalent bonding under extreme conditions. Based on this analysis, we construct a schematic dissociation-metallization phase diagram and suggest experimental approaches that should significantly reduce the pressures necessary for the realization of the elusive metallic phase of hydrogen.

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