A multiphase equation of state for cerium (IV) oxide

18th APS-SCCM; 24th AIRAPT

Chisolm, E.D.^1

Theoretical Division, Los Alamos National Laboratory, Los Alamos

NM

87545, United States^1

关键词: Current modeling;    High frequency HF;    High-pressure solids;    Hugoniot data;    Multiphase equation of state;    Optical modes;    Theoretical equation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/500/3/032004/pdf
DOI  :  10.1088/1742-6596/500/3/032004

来源: IOP

【 摘 要 】

I describe the construction of a theoretical equation of state (EOS) for cerium (IV) oxide, CeO2, that includes low- and high-pressure solid phases and the liquid. After a very brief summary of our procedure, I discuss two challenges with this EOS. The first is the presence of high-frequency optical modes in the material's vibrational spectrum, which is difficult to capture with current modeling capabilities. The second is the difficulty of validating a full-density EOS against highly porous Hugoniot data, which requires additional modeling beyond the EOS itself.