April 1, 2021 Dataset Restricted Access

Schabernack, Jonas; Kurganskaya, Inna; Fischer, Cornelius; Luttge, Andreas

JSON Export

{
  "stats": {
    "volume": 1116580533.0, 
    "unique_downloads": 4.0, 
    "version_unique_downloads": 4.0, 
    "unique_views": 692.0, 
    "downloads": 8.0, 
    "version_unique_views": 692.0, 
    "version_views": 1104.0, 
    "version_downloads": 8.0, 
    "version_volume": 1116580533.0, 
    "views": 1104.0
  }, 
  "conceptdoi": "10.14278/rodare.911", 
  "links": {
    "badge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.912.svg", 
    "doi": "https://doi.org/10.14278/rodare.912", 
    "conceptbadge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.911.svg", 
    "conceptdoi": "https://doi.org/10.14278/rodare.911", 
    "html": "https://rodare.hzdr.de/record/912", 
    "latest": "https://rodare.hzdr.de/api/records/912", 
    "latest_html": "https://rodare.hzdr.de/record/912"
  }, 
  "id": 912, 
  "updated": "2025-05-06T08:57:07.007226+00:00", 
  "doi": "10.14278/rodare.912", 
  "created": "2021-04-01T11:32:21.542230+00:00", 
  "owners": [
    956
  ], 
  "revision": 6, 
  "conceptrecid": "911", 
  "metadata": {
    "relations": {
      "version": [
        {
          "is_last": true, 
          "parent": {
            "pid_value": "911", 
            "pid_type": "recid"
          }, 
          "index": 0, 
          "count": 1, 
          "last_child": {
            "pid_value": "912", 
            "pid_type": "recid"
          }
        }
      ]
    }, 
    "communities": [
      {
        "id": "rodare"
      }
    ], 
    "related_identifiers": [
      {
        "relation": "isIdenticalTo", 
        "scheme": "url", 
        "identifier": "https://www.hzdr.de/publications/Publ-32491"
      }, 
      {
        "relation": "isReferencedBy", 
        "scheme": "url", 
        "identifier": "https://www.hzdr.de/publications/Publ-32483"
      }, 
      {
        "relation": "isVersionOf", 
        "scheme": "doi", 
        "identifier": "10.14278/rodare.911"
      }
    ], 
    "access_right": "restricted", 
    "access_right_category": "danger", 
    "publication_date": "2021-04-01", 
    "doc_id": "1", 
    "creators": [
      {
        "name": "Schabernack, Jonas", 
        "affiliation": "HZDR", 
        "orcid": "0000-0003-2365-2776"
      }, 
      {
        "name": "Kurganskaya, Inna", 
        "affiliation": "University of Bremen"
      }, 
      {
        "name": "Fischer, Cornelius", 
        "affiliation": "HZDR", 
        "orcid": "0000-0003-2416-6438"
      }, 
      {
        "name": "Luttge, Andreas", 
        "affiliation": "University of Bremen"
      }
    ], 
    "description": "<p>Raw Data for the Publication: Influence of Muscovite (001) Surface Nanotopography on Europium Adsorption studied by kinetic Monte Carlo Simulations</p>\n\n<p>Kinetic Monte Carlo (KMC) simulations were performed on the (001) muscovite face.<br>\nKMC simulations were divided in two parts: (1) surface dissolution (2) europium (Eu3+) adsorption to resulting surface</p>\n\n<p>Simulation Settings:<br>\n&nbsp;&nbsp; &nbsp;- Surface Size [unit cells]: 700 in a, 300 in b, 8 in c<br>\n&nbsp;&nbsp; &nbsp;- Dissolved Atoms: 2,000,000<br>\n&nbsp;&nbsp; &nbsp;- Adsorbed Atoms: 300,000</p>\n\n<p>KMC Simulations:<br>\n&nbsp;&nbsp; &nbsp;- Case(I)&nbsp; [1PitDepth6]&nbsp; : One single etch pit with a depth of 6 unit cells or ~12 nm / 10 Simulation Runs<br>\n&nbsp;&nbsp; &nbsp;- Case(II) [6PitsDepth1] : Six inital etch pits with depths of 1 uni cell or ~2 nm / 10 Simulation Runs<br>\n&nbsp;&nbsp; &nbsp;- Study of etch pit depth vs. number of octahedral surface atoms [OctahedralSitesDepth]: Six simulations with pit depths from 1 to 6 unit cells / 1 Simulation Run each</p>\n\n<p>Produced Output Data from KMC Simulations. Each Run contains:<br>\n&nbsp;&nbsp; &nbsp;- Number of Adsorbed Atoms and Time (Ad_Num.txt)<br>\n&nbsp;&nbsp; &nbsp;- Number of Adsorbed Atoms by Position and Time (Ad_Site_Stat.txt)<br>\n&nbsp;&nbsp; &nbsp;- Number of Dissolved Atoms and Time (diss_num_1.txt)<br>\n&nbsp;&nbsp; &nbsp;- Number of Dissolved Atoms by Position and Time (site_stats_1.txt)<br>\n&nbsp;&nbsp; &nbsp;- Four Files for Adsorption Visualization (Ad_mov_01 to _04.pdb)<br>\n&nbsp;&nbsp; &nbsp;- Four Files for Dissolution Visualization (m_mov_001_1 to _4.pdb)</p>\n\n<p>&nbsp;&nbsp; &nbsp;.pdb files can be opened and viewed by using the Visual Molecular Dynamics (VMD) viewer (https://www.ks.uiuc.edu/Research/vmd/)<br>\n&nbsp;&nbsp; &nbsp;&nbsp;&nbsp; &nbsp;Humphrey, W., Dalke, A. and Schulten, K., &quot;VMD - Visual Molecular Dynamics&quot;, J. Molec. Graphics, 1996, vol. 14, pp. 33-38.</p>", 
    "resource_type": {
      "title": "Dataset", 
      "type": "dataset"
    }, 
    "access_conditions": "<p>Access to files may be granted upon request.</p>", 
    "pub_id": "32491", 
    "doi": "10.14278/rodare.912", 
    "title": "Data for: Influence of Muscovite (001) Surface Nanotopography on Radionuclide Adsorption studied by kinetic Monte Carlo Simulations"
  }
}