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              <creatorName>Li, Yunguo</creatorName>
              <givenName>Yunguo</givenName>
              <familyName>Li</familyName>
              <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org">0000-0002-6221-7585</nameIdentifier>
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              <creatorName>Vocadlo, Lidunka</creatorName>
              <givenName>Lidunka</givenName>
              <familyName>Vocadlo</familyName>
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            <creator>
              <creatorName>Brodholt, John</creatorName>
              <givenName>John</givenName>
              <familyName>Brodholt</familyName>
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            <title><![CDATA[Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-S-C elasticity 6500 K]]></title>
          </titles>
          <subjects>
            <subject>Geophysics not elsewhere classified</subject>
            <subject>hcp-Fe</subject>
            <subject>elasticity</subject>
            <subject>Geophysics</subject>
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            <date dateType="Created">2019-11-27</date>
            <date dateType="Updated">2019-11-27</date>
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          <resourceType resourceTypeGeneral="Dataset">Dataset</resourceType>
          <publicationYear>2019</publicationYear>
          <publisher>University College London</publisher>
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            <description descriptionType="Abstract"><![CDATA[<p>The folder includes the elastic calculations for the hcp-Fe-Si-C alloy with the symmetrical structure at Earth's core conditions (360 GPa and 6500 K).</p><p>Elastic calculations were performed at the density functional theory level by using the Vienna Ab initio Simulation Package. Finite-temperature elastic calculations were done by using ab initio molecular dynamics. The strain–stress method was used to calculate the isothermal elastic constants.</p>]]></description>
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