Volume 30 Issue 1
Apr 2016
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ZHANG Qi-Li, ZHAO Yan-Hong, MA Gui-Cun, ZHANG Gong-Mu. First-Principles Study of the Equation of Statefor Uranium under High Pressures[J]. Chinese Journal of High Pressure Physics, 2016, 30(1): 32-36. doi: 10.11858/gywlxb.2016.01.005
Citation: ZHANG Qi-Li, ZHAO Yan-Hong, MA Gui-Cun, ZHANG Gong-Mu. First-Principles Study of the Equation of Statefor Uranium under High Pressures[J]. Chinese Journal of High Pressure Physics, 2016, 30(1): 32-36. doi: 10.11858/gywlxb.2016.01.005

First-Principles Study of the Equation of Statefor Uranium under High Pressures

doi: 10.11858/gywlxb.2016.01.005
  • Received Date: 09 Oct 2014
  • Rev Recd Date: 29 Dec 2014
  • In this paper we studied the equation of state (EOS) of uranium using the first-principles.The calculation of ground states indicates that the α structure is the most stable phase.The EOS at finite temperatures was computed by the quantum molecular dynamics (QMD).Based on this, the Hugoniot data were calculated and compared with the experimental data and other theoretical results.When the pressure is below 100GPa, the QMD calculated results are in good agreement with the experimental data, while those from the calculation by the quotidian equation of state (QEOS) don't agree so well with the experimental results.

     

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