Minimal calibration database required to build the multiphase equation of state of iron

Producing a multiphase equation of state with a restricted set of experimental and ab initio data can be very laborious. This difficulty is reinforced when treating unfamiliar materials such as new types of stainless steels, poorly characterized in the literature. Step by step, we established minimal data (shock experiments, diamond anvil cell experiments, ab initio calculations...) to be used to calibrate the cold curves models, ionic thermal parts and electronic parts models, including magnetism, using well known iron as a test material. This minimal database is used with the POOH code [1] (programme d'optimisation heuristique), based on maximum likelihood estimation method, in order to generate the full range multiphase equation of state.

[1] G. Robert, V. Dubois, and P. Legrand, "Using maximum likelihood estimation approach to adjust parameters of multiphase equations of state: Molybdenum as an example", Journal of Applied Physics 131, 105901 (2022) https://doi.org/10.1063/5.0081299