Citation: Bailie, D.; White, S.; Irwin,
R.; Hyland, C.; Warwick, R.; Kettle, B.;
Breslin, N.; Bland, S.N.; Chapman,
D.J.; Mangles, S.P.D.; et al. K-Edge
Structure in Shock-Compressed
Chlorinated Parylene. Atoms 2023, 11,
135. https://doi.org/10.3390/
atoms11100135
Academic Editor: Frank B. Rosmej
Received: 17 August 2023
Revised: 22 September 2023
Accepted: 13 October 2023
Published: 18 October 2023
Copyright: © 2023 by the authors.
Licensee MDPI, Basel, Switzerland.
This article is an open access article
distributed under the terms and
conditions of the Creative Commons
Attribution (CC BY) license (https://
creativecommons.org/licenses/by/
4.0/).
atoms
Article
K-Edge Structure in Shock-Compressed Chlorinated Parylene
David Bailie
1
, Steven White
1
, Rachael Irwin
1
, Cormac Hyland
1
, Richard Warwick
1
, Brendan Kettle
1,2
,
Nicole Breslin
1
, Simon N. Bland
2
, David J. Chapman
2
, Stuart P. D. Mangles
2
, Rory A. Baggot
2
,
Eleanor R. Tubman
2
and David Riley
1,
*
1
Centre for Light-Matter Interaction, School of Mathematics and Physics, Queen’s University Belfast,
University Road, Belfast BT7 1NN, UK; swhite06@qub.ac.uk (S.W.); rirwin11@qub.ac.uk (R.I.)
2
Plasma Physics Group, Blackett Laboratory, Imperial College, London SW7 2BZ, UK;
david.chapman@eng.ox.ac.uk (D.J.C.)
* Correspondence: d.riley@qub.ac.uk
Abstract: We have carried out a series of experiments to measure the Cl K-absorption edge for shock-
compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples
up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about
10 eV have been measured. We have compared the measured shifts to analytical modelling using
the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature
based on hydrodynamic modelling. Modelling of the edge position using density functional theory
molecular dynamics (DFT-MD) was also used and it was found that good agreement was only
achieved when the DFT simulations assumed conditions of lower temperature and slightly higher
density than indicated by hydrodynamic simulations using a tabular equation of state.
Keywords: ionization potential depression; continuum lowering; X-ray spectroscopy
PACS: 52.38.Ph; 52.38.Dx; 52.70.La
1. Introduction
It is commonly acknowledged in the literature relating to warm dense matter, e.g., [1–3],
that it is not only a challenging state of matter to describe theoretically, but that it is also
challenging to diagnose experimentally. The theoretical challenge arises from the presence
of strong inter-particle correlation, partial ionisation and partial degeneracy. The diagnostic
challenges include the fact that the extreme conditions of warm dense matter generally
require dynamic methods of sample generation, often on timescales of nanoseconds or
shorter. In addition, the density is too high for optical emission to escape, except from
the surface of the sample, where the plasma temperature and density may not reflect
the interior values. Further, the sample is usually too cold for X-ray emission. For this
reason, there has been a concerted effort over the last couple of decades to develop X-ray
probe diagnostics, such as X-ray Thomson scattering and K-edge spectroscopy, including
techniques such as X-ray absorption near edge structure (XANES), which looks in the
region near to the K-edge, and extended X-ray absorption fine structure (EXAFS), looking
at oscillations in absorption further from the edge. Both are influenced by the environment
of the species whose edge is explored. At higher temperatures, the detailed edge structure
present in XANES and EXAFS tends to be washed out and the position of the edge and the
slope become the features of interest. For this, the ionisation potential depression (IPD) is a
key factor.
Ionisation potential depression and pressure ionisation are important processes in shock-
compressed warm dense matter (WDM) where the electronic structure of the ions plays
a key role in the bulk properties of the matter. In the past, K-edge shift experiments [4–6]
have been modelled, typically by using an ion-sphere approach to IPD. An important
Atoms 2023, 11, 135. https://doi.org/10.3390/atoms11100135 https://www.mdpi.com/journal/atoms