1 Ocak 2017 Dergi makalesi Açık Erişim

Kart, H. H.; Kart, S. Ozdemir; Cagin, T.

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/52103</identifier>
  <creators>
    <creator>
      <creatorName>Kart, H. H.</creatorName>
      <givenName>H. H.</givenName>
      <familyName>Kart</familyName>
      <affiliation>Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Kart, S. Ozdemir</creatorName>
      <givenName>S. Ozdemir</givenName>
      <familyName>Kart</familyName>
      <affiliation>Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Cagin, T.</creatorName>
      <givenName>T.</givenName>
      <familyName>Cagin</familyName>
      <affiliation>Texas A&amp;M Univ, Mat Sci &amp; Engn, College Stn, TX 77845 USA</affiliation>
    </creator>
  </creators>
  <titles>
    <title>The Analysis Of The Stress Corrosion Effects For H Atom In The Symmetrical Tilt Ni Sigma 5 (012) Grain Boundary Structure</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2017</publicationYear>
  <dates>
    <date dateType="Issued">2017-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/52103</alternateIdentifier>
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    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.81043/aperta.52102</relatedIdentifier>
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    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
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  <descriptions>
    <description descriptionType="Abstract">We employ a first-principles total energy method based on density functional theory as implemented in the Vienna ab-initio simulation package (VASP) for a detailed analysis of the symmetrical tilt Ni Sigma 5 (012) GB with H impurity atoms in the structure of Sigma 5 (012) GB. The effects of H segregation at the Ni Sigma 5 (012) GB are investigated in details. The main goal of this study is to perform the ab initio simulations for the Ni Sigma 5 (012) GB including the various impurity atoms at GB level as well as pure grain boundary models of Ni Sigma 5 (012) GB. The grains can either be pushed apart or pulled together depending on the size of the impurity and nature of the local relaxations. Fundamental understanding of stress-corrosion cracking in metals and alloys including various impurity atoms is important to develop a new-structural material. Our calculations are compatible with the other first principle calculations. (C) 2017 Elsevier Ltd. All rights reserved.</description>
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