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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{
  "DOI": "10.14278/rodare.994", 
  "issued": {
    "date-parts": [
      [
        2021, 
        5, 
        27
      ]
    ]
  }, 
  "publisher": "Rodare", 
  "abstract": "<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>\n\n<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>\n\n<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>\n\n<p>The DFTMD folder contains the results of our density functional theory molecular dynamics simulation.<br>\nIn 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>\nThe 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>", 
  "author": [
    {
      "family": "L\u00fctgert, Bernhard Julian"
    }, 
    {
      "family": "Vorberger, Jan"
    }, 
    {
      "family": "Hartley, Nicholas"
    }, 
    {
      "family": "Voigt, Katja"
    }, 
    {
      "family": "R\u00f6del, Melanie"
    }, 
    {
      "family": "Schuster, Anja"
    }, 
    {
      "family": "Benuzzi-Mounaix, Alessandra"
    }, 
    {
      "family": "Brown, Shaughnessy"
    }, 
    {
      "family": "Cowan, Thomas"
    }, 
    {
      "family": "Cunningham, Eric"
    }, 
    {
      "family": "D\u00f6ppner, Tilo"
    }, 
    {
      "family": "Falcone, Roger W."
    }, 
    {
      "family": "Fletcher, Luke B."
    }, 
    {
      "family": "Galtier, Eric"
    }, 
    {
      "family": "Glenzer, Siegfried H."
    }, 
    {
      "family": "Laso Garc\u00eda, Alejandro"
    }, 
    {
      "family": "Gericke, Dirk O."
    }, 
    {
      "family": "Heimann, Phil A."
    }, 
    {
      "family": "Lee, Hae J."
    }, 
    {
      "family": "McBride, Emma E."
    }, 
    {
      "family": "Pelka, Alexander"
    }, 
    {
      "family": "Prencipe, Irene"
    }, 
    {
      "family": "Saunders, Alison M."
    }, 
    {
      "family": "Sch\u00f6lmerich, Markus"
    }, 
    {
      "family": "Sch\u00f6rner, Maximilian"
    }, 
    {
      "family": "Sun, Peihao"
    }, 
    {
      "family": "Vinci, Tommaso"
    }, 
    {
      "family": "Ravasio, Alessandra"
    }, 
    {
      "family": "Kraus, Dominik"
    }
  ], 
  "type": "dataset", 
  "id": "994", 
  "title": "Dataset: Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures"
}
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