Open AccessStructure properties of warm dense hydrogen
Author(s) -
R. A. Sartan
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1556/1/012047
Subject(s) - hydrogen , hydrogen molecule , molecule , ab initio , phase transition , chemical physics , materials science , phase (matter) , ab initio quantum chemistry methods , molecular dynamics , thermodynamics , chemistry , computational chemistry , physics , organic chemistry
The warm dense hydrogen is studied by the ab initio molecular dynamics in the region of the fluid–fluid phase transition. A method for calculating the properties such as concentration and lifetime of H 2 molecules is developed. As warm dense hydrogen passes the transition, the concentration of H 2 molecules decreases smoothly, while the lifetime changes abruptly by several orders.