Germanium multiphase equation of state

18th APS-SCCM; 24th AIRAPT

Crockett, S.D.^1 ; Lorenzi-Venneri, G De^1 ; Kress, J.D.^1 ; Rudin, S.P.^1

Los Alamos National Laboratory, Theoretical Division, Los Alamos

NM

87544, United States^1

关键词: Equation of state;    Hugoniot data;    Liquid phasis;    Multiphase equation of state;    Solid-liquid transition;    Solid-solid;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/500/3/032006/pdf
DOI  :  10.1088/1742-6596/500/3/032006

来源: IOP

【 摘 要 】

A new SESAME multiphase germanium equation of state (EOS) has been developed utilizing the best available experimental data and density functional theory (DFT) calculations. The equilibrium EOS includes the Ge I (diamond), the Ge II (β-Sn) and the liquid phases. The foundation of the EOS is based on density functional theory calculations which are used to determine the cold curve and the Debye temperature. Results are compared to Hugoniot data through the solid-solid and solid-liquid transitions. We propose some experiments to better understand the dynamics of this element.