Unraveling electronic correlations in warm dense quantum plasmas
Abstract
The study of matter at extreme densities and temperatures has emerged as a highly active frontier at the interface of plasma physics, material science and quantum chemistry with relevance for planetary modeling and inertial confinement fusion. A particular feature of such warm dense matter is the complex interplay of Coulomb interactions, quantum effects, and thermal excitations, making its rigorous theoretical description challenging. Here, we demonstrate how ab initio path integral Monte Carlo simulations allow us to unravel this intricate interplay for the example of strongly compressed beryllium, focusing on two X-ray Thomson scattering data sets obtained at the National Ignition Facility. We find excellent agreement between simulation and experiment with a very high level of consistency between independent observations without the need for any empirical input parameters. Our results call into question previously used chemical models, with important implications for the interpretation of scattering experiments and radiation hydrodynamics simulations. Path-integral Monte Carlo (PIMC) techniques are used to simulate thermodynamic properties of warm dense matter but currently suffer from uncontrolled approximations and exponentially scaling computational costs. Here, the authors provide a way to overcome these issues, developing PIMC simulations of warm dense beryllium in agreement with x-ray Thomson scattering.
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