1 Ocak 2017 Dergi makalesi Açık Erişim

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

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{
  "URL": "https://aperta.ulakbim.gov.tr/record/52103", 
  "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.", 
  "author": [
    {
      "family": "Kart", 
      "given": " H. H."
    }, 
    {
      "family": "Kart", 
      "given": " S. Ozdemir"
    }, 
    {
      "family": "Cagin", 
      "given": " T."
    }
  ], 
  "container_title": "MATERIALS TODAY-PROCEEDINGS", 
  "id": "52103", 
  "issue": "7", 
  "issued": {
    "date-parts": [
      [
        2017, 
        1, 
        1
      ]
    ]
  }, 
  "page": "7011-7017", 
  "title": "The analysis of the stress corrosion effects for H atom in the symmetrical tilt Ni Sigma 5 (012) grain boundary structure", 
  "type": "article-journal", 
  "volume": "4"
}