期刊
CONTRIBUTIONS TO PLASMA PHYSICS
卷 58, 期 2-3, 页码 122-127出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ctpp.201700101
关键词
density functional theory; pair correlation function; plasma phase transition
资金
- Ministry of Education and Science of the Russian Federation, Russian Academic Excellence Project '5-100'
A new idea is developed that the fluid-fluid phase transition in warm dense hydrogen is related to the partial ionization of molecular hydrogen H-2 with formation of molecular ions H2+ and H3+. Conventional ab initio quantum modelling is applied. The proton-proton pair correlation functions (PCFs) obtained are used for the non-conventional diagnostics of the phase transition and elucidation of its nature for temperatures in the range 700-1500K. Short- and long-range changes of PCFs are studied. Ionization of H-2 molecules and the appearance of molecular ions H2+ and H3+ are revealed. The validity of the soft sphere model is tested for the long-range order.
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