Carbon ionization at Gbar pressures: an ab initio perspective on astrophysical high-density plasmas
arXiv:2004.13698 · doi:10.1103/PhysRevResearch.2.023260
Abstract
A realistic description of partially-ionized matter in extreme thermodynamic states is critical to model the interior and evolution of the multiplicity of high-density astrophysical objects. Current predictions of its essential property, the ionization degree, rely widely on analytical approximations that have been challenged recently by a series of experiments. Here, we propose a novel ab initio approach to calculate the ionization degree directly from the dynamic electrical conductivity using the Thomas-Reiche-Kuhn sum rule. This Density Functional Theory framework captures genuinely the condensed matter nature and quantum effects typical for strongly-correlated plasmas. We demonstrate this new capability for carbon and hydrocarbon, which most notably serve as ablator materials in inertial confinement fusion experiments aiming at recreating stellar conditions. We find a significantly higher carbon ionization degree than predicted by commonly used models, yet validating the qualitative behavior of the average atom model Purgatorio. Additionally, we find the carbon ionization state to remain unchanged in the environment of fully-ionized hydrogen. Our results will not only serve as benchmark for traditional models, but more importantly provide an experimentally accessible quantity in the form of the electrical conductivity.
arXiv commentaccepted for publication in Physical Review Research
References in corpus (7)
- Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
- Continuum Lowering -- A New Perspective
- Quantum-mechanical calculation of ionization potential lowering in dense plasmas
- Ionization potential depression and Pauli blocking in degenerate plasmas at extreme densities
- Material Properties for the Interiors of Massive Giant Planets and Brown Dwarfs
- Validating Continuum Lowering Models via Multi-Wavelength Measurements of Integrated X-ray Emission
- Ionization potential depression and optical spectra in a Debye plasma model
Cited by in corpus (21)
- First principles simulations of dense hydrogen
- Accurate Temperature Diagnostics for Matter under Extreme Conditions
- X-ray Thomson scattering spectra from DFT-MD simulations based on a modified Chihara formula
- Requirements for very high temperature Kohn-Sham density functional simulations and how to bypass them
- Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics
- From Density Response to Energy Functionals and Back: An ab initio perspective on Matter Under Extreme Conditions
- First-principles derivation and properties of density-functional average-atom models
- Improved calculations of mean ionization states with an average-atom model
- Finite temperature density functional theory investigation to the nonequilibrium transient warm dense state created by laser excitation
- Investigating Mechanisms of State Localization in Highly-Ionized Dense Plasmas
- Platform for Probing Radiation Transport Properties of Hydrogen at Conditions Found in the Deep Interiors of Red Dwarfs
- The ionization of carbon at 10-100 times the diamond density and in the 10 K temperature range
- Ionisation Calculations using Classical Molecular Dynamics
- Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations
- Real-Space Green's functions for Warm Dense Matter
- Optical and Transport Properties of Plasma Mixtures from Ab Initio Molecular Dynamics
- Simple pair-potentials and pseudo-potentials for warm-dense matter and general applications
- Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma
- Random-walk shielding-potential viscosity model for warm dense metals
- The virial expansion of the Hydrogen equation of state in comparison to PIMC simulations: the quasiparticle concept, IPD, and ionization degree
- Ionization potential depression in degenerate plasmas and Pauli blocking of multi-electron ions