Comparison of Branching Ratio and Sum-Rule Analyses of Magnetic Circular Dichroism in X-Ray-Absorption Spectroscopy

Two localized picture methods of analyzing the magnetic circular dichroism in x-ray absorption will be applied to experimental results: the branching ratio (BR) and sum rule (SR) approaches. A derivation of the BR formulas and detailed comparison to the SR expressions will be made, including error estimations. The BR approach will be seen to be a limiting case form of the SR spin-moment expression and provide a simple picture of the underlying physics in magnetic x-ray circular dichroism absorption in 3d magnetic materials

Carbon ionization at Gbar pressures: an ab initio perspective on astrophysical high-density plasmas

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.Comment: accepted for publication in Physical Review Researc

Theoretical and experimental investigation of the equation of state of boron plasmas

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1$\times$10$^4$-5.2$\times$10$^8$ K) and densities (0.25-49 g/cm$^3$), and experimental shock Hugoniot data at unprecedented high pressures (5608$\pm$118 GPa). The calculations are performed with full, first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference $<$1.5 Hartree/boron in energy and $<$5% in pressure) at 5.1$\times$10$^5$ K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions We study the performance sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on comparison of the first-principles calculations with LEOS 50 via 1D hydrodynamic simulations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research. (LLNL-JRNL-748227)Comment: 12 pages, 9 figures, 2 table