Dataset Restricted Access

Data publication: Variability of radionuclide sorption efficiency on muscovite cleavage planes

Schabernack, Jonas; Faria Oliveira, Augusto; Heine, Thomas; Fischer, Cornelius


DCAT Export

<?xml version='1.0' encoding='utf-8'?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:cnt="http://www.w3.org/2011/content#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#">
  <rdf:Description rdf:about="https://doi.org/10.14278/rodare.1953">
    <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/>
    <dct:type rdf:resource="http://purl.org/dc/dcmitype/Dataset"/>
    <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.14278/rodare.1953</dct:identifier>
    <foaf:page rdf:resource="https://doi.org/10.14278/rodare.1953"/>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-2365-2776">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Schabernack, Jonas</foaf:name>
        <foaf:givenName>Jonas</foaf:givenName>
        <foaf:familyName>Schabernack</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0002-0805-3081">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Faria Oliveira, Augusto</foaf:name>
        <foaf:givenName>Augusto</foaf:givenName>
        <foaf:familyName>Faria Oliveira</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-2379-6251">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Heine, Thomas</foaf:name>
        <foaf:givenName>Thomas</foaf:givenName>
        <foaf:familyName>Heine</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:creator>
      <rdf:Description rdf:about="http://orcid.org/0000-0003-2416-6438">
        <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/>
        <foaf:name>Fischer, Cornelius</foaf:name>
        <foaf:givenName>Cornelius</foaf:givenName>
        <foaf:familyName>Fischer</foaf:familyName>
      </rdf:Description>
    </dct:creator>
    <dct:title>Data publication: Variability of radionuclide sorption efficiency on muscovite cleavage planes</dct:title>
    <dct:publisher>
      <foaf:Agent>
        <foaf:name>Rodare</foaf:name>
      </foaf:Agent>
    </dct:publisher>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2022</dct:issued>
    <dcat:keyword>Radionuclide Sorption</dcat:keyword>
    <dcat:keyword>Kinetic Monte Carlo</dcat:keyword>
    <dcat:keyword>Density Functional Theory</dcat:keyword>
    <dcat:keyword>Muscovite</dcat:keyword>
    <dcat:keyword>Europium</dcat:keyword>
    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2022-11-17</dct:issued>
    <owl:sameAs rdf:resource="https://rodare.hzdr.de/record/1953"/>
    <adms:identifier>
      <adms:Identifier>
        <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://rodare.hzdr.de/record/1953</skos:notation>
      </adms:Identifier>
    </adms:identifier>
    <dct:isReferencedBy rdf:resource="https://www.hzdr.de/publications/Publ-35468"/>
    <owl:sameAs rdf:resource="https://www.hzdr.de/publications/Publ-35469"/>
    <dct:isVersionOf rdf:resource="https://doi.org/10.14278/rodare.1952"/>
    <dct:isPartOf rdf:resource="https://rodare.hzdr.de/communities/energy"/>
    <dct:isPartOf rdf:resource="https://rodare.hzdr.de/communities/rodare"/>
    <dct:description>&lt;p&gt;Dataset of outputs produced by DFT and KMC simulation described in the associated paper.&lt;/p&gt; &lt;p&gt;KMC data:&lt;/p&gt; &lt;ul&gt; &lt;li&gt;Adsorption distribution (Ad_mov_01.pdb to Ad_mov_10.pdb)&lt;/li&gt; &lt;li&gt;Surface nanotopography (surface_1.pdb)&lt;/li&gt; &lt;li&gt;Statistic files for dissolution and adsorption (Ad_num.txt, Ad_Sites_Stat.txt, sites_stat_1.txt, diss_num.txt)&lt;/li&gt; &lt;li&gt;Input files (testmusc9_KMC_Mica_1_6.inp, EuAdsorption_2_0.inp)&lt;/li&gt; &lt;li&gt;Excel files for adsorption evaluation (Adsorption_Results_File), input energy calculation (EnergyParameterCalc) and site sorting (Site-INDL-Sorting)&lt;/li&gt; &lt;/ul&gt; &lt;p&gt;DFT data:&lt;/p&gt; &lt;ul&gt; &lt;li&gt;Excel file adsorption energy barriers (Adsorption_Energy_Barrier)&lt;/li&gt; &lt;li&gt;Site adsorption energies (.cvs files)&lt;/li&gt; &lt;li&gt;Site adsorption trajectories (.xyz files)&lt;/li&gt; &lt;/ul&gt; &lt;p&gt;Excel file for the estimation of the desorption factor&lt;/p&gt;</dct:description>
    <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/RESTRICTED"/>
    <dct:accessRights>
      <dct:RightsStatement rdf:about="info:eu-repo/semantics/restrictedAccess">
        <rdfs:label>Restricted Access</rdfs:label>
      </dct:RightsStatement>
    </dct:accessRights>
    <dcat:distribution>
      <dcat:Distribution>
        <dcat:accessURL rdf:resource="https://doi.org/10.14278/rodare.1953"/>
      </dcat:Distribution>
    </dcat:distribution>
  </rdf:Description>
</rdf:RDF>
405
8
views
downloads
All versions This version
Views 405405
Downloads 88
Data volume 2.9 kB2.9 kB
Unique views 129129
Unique downloads 66

Share

Cite as