Dataset Open Access
Dataset: Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures
Lütgert, Bernhard Julian;
Vorberger, Jan;
Hartley, Nicholas;
Voigt, Katja;
Rödel, Melanie;
Schuster, Anja;
Benuzzi-Mounaix, Alessandra;
Brown, Shaughnessy;
Cowan, Thomas;
Cunningham, Eric;
Döppner, Tilo;
Falcone, Roger W.;
Fletcher, Luke B.;
Galtier, Eric;
Glenzer, Siegfried H.;
Laso García, Alejandro;
Gericke, Dirk O.;
Heimann, Phil A.;
Lee, Hae J.;
McBride, Emma E.;
Pelka, Alexander;
Prencipe, Irene;
Saunders, Alison M.;
Schölmerich, Markus;
Schörner, Maximilian;
Sun, Peihao;
Vinci, Tommaso;
Ravasio, Alessandra;
Kraus, Dominik
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<subfield code="a"><p>This repository contains raw-data related to our publication &quot;Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures&quot;.</p>
<p>The XRD data in the &quot;LCLS&quot; folder is accompanied with a &quot;calibration.poni&quot; file that provides information about the experiment&#39;s geometry and can be used in <a href="https://doi.org/10.1107/S1600577520000776">pyFAI</a> (<a href="https://github.com/silx-kit/pyFAI">GitHub page</a>) or <a href="https://dx.doi.org/10.1080/08957959.2015.1059835">Dioptas</a> (<a href="https://github.com/Dioptas/Dioptas">GitHub page</a>) to integrate the two-dimensional data azimuthally. Integrated XRD data after background-subtraction and filter-corrections is presented in Fig. 2 and 3 of the manuscript while 2D data of run 215 is used in Fig. 1. The &quot;shotlist.csv&quot; file contains information about the relative X-ray to drive-laser timing, shot-type and X-ray energy for the individual events.</p>
<p>VISAR, SOP and reflectivity measurements can be found in the &quot;LULI&quot; directory. 2&omega;-VISAR and SOP datasets of shot 08 are displayed as inserts in Fig. 5 (the first after performing a ghost-fringe subtraction). &quot;shotlist.csv&quot; provides additional parameters.</p>
<p>The DFTMD folder contains the results of our density functional theory molecular dynamics simulation.<br>
In the &quot;XRD&quot; subdirectory, &quot;wrofk_mylar_chomd*.dat&quot; files can be found in which the quantities to calculate the lineouts in Fig. 3 and 4 are saved for given temperatures, pressures and densities. The header of those files is given in &quot;header.txt&quot; and additional information about the conditions and settings for individual calculations can be obtained from &quot;param_mylar_md.txt&quot;.<br>
The dataset for the Hugoniot curve from our DFT-MD equation-of-state (which is plotted in Fig. 5) is provided in the &quot;Hugoniot&quot; sub-folder.</p></subfield>
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| All versions | This version | |
|---|---|---|
| Views | 607 | 607 |
| Downloads | 229 | 229 |
| Data volume | 25.3 GB | 25.3 GB |
| Unique views | 327 | 327 |
| Unique downloads | 37 | 37 |
- Publication date:
- May 27, 2021
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-32679 - Referenced by:
https://www.hzdr.de/publications/Publ-30868 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International