1 Ocak 2017 Dergi makalesi Açık Erişim

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

Dublin Core

<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Kart, H. H.</dc:creator>
  <dc:creator>Kart, S. Ozdemir</dc:creator>
  <dc:creator>Cagin, T.</dc:creator>
  <dc:date>2017-01-01</dc:date>
  <dc:description>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.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/52103</dc:identifier>
  <dc:identifier>oai:zenodo.org:52103</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>MATERIALS TODAY-PROCEEDINGS 4(7) 7011-7017</dc:source>
  <dc:title>The analysis of the stress corrosion effects for H atom in the symmetrical tilt Ni Sigma 5 (012) grain boundary structure</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
</oai_dc:dc>