28 / 2026-03-04 20:41:03

Hugoniot curves of warm dense carbon from Stochastic Density Functional Theory

Warm dense carbon,Equation of state,Inertial confinement fusion,Stochastic density functional theory,High-energy-density physics

极端条件下的基础物理 > 极端条件下的原子物理、核物理与等离子体物理

The equation of state (EOS) of carbon is a core research topic in high-energy-density physics, inertial confinement fusion (ICF), and astrophysics, playing a pivotal role in planetary interior modeling, white dwarf atmosphere research, and ICF target pellet ablation . While EOS data of warm dense carbon can be acquired via techniques such as X-ray scattering  and first-principles calculations including Kohn-Sham Density Functional Theory with Path Integral Monte Carlo, the community still faces technical challenges such as EOS coupling of carbon-based composite materials and large-scale high-precision calculations over a broad parameter range. In this study, we adopt stochastic density functional theory (SDFT) combined with the mixed stochastic-deterministic DFT (MDFT) framework , which overcomes the high-temperature computational bottleneck of KSDFT  and enables highly efficient parallel computing. We calculate the Hugoniot curves of warm dense carbon across the temperature range of 0.43~1400 eV. Comparisons with results from theoretical calculations  and experimental data demonstrate an excellent agreement with negligible discrepancies. This study confirms that SDFT is a suitable method for  generating high-precision EOS data for carbon. Future research will extend this method to the construction of EOS for carbon-based composite materials and investigate key physical properties such as transport coefficients , thereby providing theoretical support for the full-dimensional simulation of relevant physical processes .