1 Ocak 2017 Dergi makalesi Açık Erişim

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

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{
  "@context": "https://schema.org/", 
  "@id": 52103, 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "affiliation": "Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey", 
      "name": "Kart, H. H."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey", 
      "name": "Kart, S. Ozdemir"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Texas A&M Univ, Mat Sci & Engn, College Stn, TX 77845 USA", 
      "name": "Cagin, T."
    }
  ], 
  "datePublished": "2017-01-01", 
  "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.", 
  "headline": "The analysis of the stress corrosion effects for H atom in the symmetrical tilt Ni Sigma 5 (012) grain boundary structure", 
  "identifier": 52103, 
  "image": "https://aperta.ulakbim.gov.tr/static/img/logo/aperta_logo_with_icon.svg", 
  "license": "http://www.opendefinition.org/licenses/cc-by", 
  "name": "The analysis of the stress corrosion effects for H atom in the symmetrical tilt Ni Sigma 5 (012) grain boundary structure", 
  "url": "https://aperta.ulakbim.gov.tr/record/52103"
}