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Author Li, Zi ♦ Zhang, Shen ♦ Kang, Wei ♦ Wang, Cong ♦ Zhang, Ping
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword ATOMIC AND MOLECULAR PHYSICS ♦ PLASMA PHYSICS AND FUSION TECHNOLOGY ♦ ABSORPTION ♦ ABSORPTION SPECTRA ♦ ATOMS ♦ DENSITY OF STATES ♦ DIAGRAMS ♦ ELECTRON DENSITY ♦ K SHELL ♦ MOLECULAR DYNAMICS METHOD ♦ MOLECULES ♦ NITROGEN ♦ RANKINE-HUGONIOT EQUATIONS ♦ THERMODYNAMICS ♦ X RADIATION ♦ X-RAY SPECTRA
Abstract X-ray absorption spectrum is a powerful tool for atomic structure detection on warm dense matter. Here, we perform first-principles molecular dynamics and X-ray absorption spectrum calculations on warm dense nitrogen along a Hugoniot curve. From the molecular dynamics trajectory, the detailed atomic structures are examined for each thermodynamical condition. The K-shell X-ray absorption spectrum is calculated, and its changes with temperature and pressure along the Hugoniot curve are discussed. The warm dense nitrogen systems may contain isolated nitrogen atoms, N{sub 2} molecules, and nitrogen clusters, which show quite different contributions to the total X-ray spectrum due to their different electron density of states. The changes of X-ray spectrum along the Hugoniot curve are caused by the different nitrogen structures induced by the temperature and the pressure. Some clear signatures on X-ray spectrum for different thermodynamical conditions are pointed out, which may provide useful data for future X-ray experiments.
ISSN 1070664X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-15
Publisher Place United States
Journal Physics of Plasmas
Volume Number 23
Issue Number 5


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