K-edge structure in shock-compressed chlorinated parylene

David Bailie; Steven White; Rachael Irwin; Cormac Hyland; Richard Warwick; Brendan Kettle; Nicole Breslin; Simon N.  Bland; David J.  Chapman; Stuart P. D. Mangles; Rory A.  Baggot; Eleanor R. Tubman; David Riley

doi:10.3390/atoms11100135

K-edge structure in shock-compressed chlorinated parylene

David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland , David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley^*

^*Corresponding author for this work

School of Mathematics and Physics

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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.

Original language	English
Article number	135
Number of pages	9
Journal	Atoms
Volume	11
Issue number	10
DOIs	https://doi.org/10.3390/atoms11100135
Publication status	Published - 18 Oct 2023

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K-edge structure in shock-compressed chlorinated parylene
Copyright 2023 the authors. This is an open access article published under a Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
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title = "K-edge structure in shock-compressed chlorinated parylene",

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.",

author = "David Bailie and Steven White and Rachael Irwin and Cormac Hyland and Richard Warwick and Brendan Kettle and Nicole Breslin and Bland, {Simon N.} and Chapman, {David J.} and Mangles, {Stuart P. D.} and Baggot, {Rory A.} and Tubman, {Eleanor R.} and David Riley",

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T1 - K-edge structure in shock-compressed chlorinated parylene

AU - Bailie, David

AU - White, Steven

AU - Irwin, Rachael

AU - Hyland, Cormac

AU - Warwick, Richard

AU - Kettle, Brendan

AU - Breslin, Nicole

AU - Bland , Simon N.

AU - Chapman, David J.

AU - Mangles, Stuart P. D.

AU - Baggot, Rory A.

AU - Tubman, Eleanor R.

AU - Riley, David

PY - 2023/10/18

Y1 - 2023/10/18

N2 - 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.

AB - 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.

U2 - 10.3390/atoms11100135

DO - 10.3390/atoms11100135

M3 - Article

VL - 11

JO - Atoms

JF - Atoms

IS - 10

M1 - 135

ER -

K-edge structure in shock-compressed chlorinated parylene

Abstract

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