Resources & Links
With the goal in mind of making WDM computations more reliable and efficient, we make available our EOS tables for 11 elements and 10 compounds as well as the C++ computer codes for their interpolation. Python code is provided to generate graphs of shock Hugoniot curve, isentropes, isobars, and isotherms for compounds and user-defined mixtures.
We put together this first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of the elements H, He, B, C, N, O, Ne, Na, Mg, Al and Si as well as the compounds LiF, B4C, BN, CH4, CH2, C2H3, CH, C2H, MgO, and MgSiO3. For all these materials, we provide the pressure and internal energy over a wide density-temperature range from ~0.5 to 50 g/cc and from ~104 to 109 K.
This database encompasses the results from approximately 5000 different first-principles simulations. It allows one to compute isobars, adiabats, and shock Hugoniot curves in the regime of L and K shell ionization. Invoking the linear mixing approximation, one can study the properties of user-defined mixtures at high density and temperature
B. Militzer, F. Gonzalez-Cataldo, S. Zhang, K. P. Driver, F. Soubiran, "First-Principles Equation of State Database for Warm Dense Matter Computation", Physical Review E 103 (2021) 013203.
S. T. Stewart. (2019, October 5). Equation of State Model Forsterite-ANEOS-SLVTv1.0G1: Documentation and Comparisons (Version v1.0.0). Zenodo. http://doi.org/10.5281/zenodo.3478631