Dergi makalesi Açık Erişim
Kart, H. H.; Kart, S. Ozdemir; Cagin, T.
<?xml version='1.0' encoding='UTF-8'?> <record xmlns="http://www.loc.gov/MARC21/slim"> <leader>00000nam##2200000uu#4500</leader> <datafield tag="245" ind1=" " ind2=" "> <subfield code="a">The analysis of the stress corrosion effects for H atom in the symmetrical tilt Ni Sigma 5 (012) grain boundary structure</subfield> </datafield> <datafield tag="909" ind1="C" ind2="4"> <subfield code="p">MATERIALS TODAY-PROCEEDINGS</subfield> <subfield code="v">4</subfield> <subfield code="n">7</subfield> <subfield code="c">7011-7017</subfield> </datafield> <controlfield tag="001">52103</controlfield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">user-tubitak-destekli-proje-yayinlari</subfield> </datafield> <datafield tag="520" ind1=" " ind2=" "> <subfield code="a">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.</subfield> </datafield> <datafield tag="650" ind1="1" ind2="7"> <subfield code="2">opendefinition.org</subfield> <subfield code="a">cc-by</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="u">Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey</subfield> <subfield code="a">Kart, S. Ozdemir</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="u">Texas A&M Univ, Mat Sci & Engn, College Stn, TX 77845 USA</subfield> <subfield code="a">Cagin, T.</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="b">article</subfield> <subfield code="a">publication</subfield> </datafield> <datafield tag="542" ind1=" " ind2=" "> <subfield code="l">open</subfield> </datafield> <datafield tag="100" ind1=" " ind2=" "> <subfield code="u">Pamukkale Univ, Dept Phys, Kinikli Campus, TR-20020 Denizli, Turkey</subfield> <subfield code="a">Kart, H. H.</subfield> </datafield> <datafield tag="260" ind1=" " ind2=" "> <subfield code="c">2017-01-01</subfield> </datafield> <controlfield tag="005">20210315230529.0</controlfield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="n">doi</subfield> <subfield code="a">10.81043/aperta.52102</subfield> <subfield code="i">isVersionOf</subfield> </datafield> <datafield tag="909" ind1="C" ind2="O"> <subfield code="o">oai:zenodo.org:52103</subfield> <subfield code="p">user-tubitak-destekli-proje-yayinlari</subfield> </datafield> <datafield tag="856" ind1="4" ind2=" "> <subfield code="z">md5:0f323289e5ca21ec0b3bd41648731fb0</subfield> <subfield code="s">207</subfield> <subfield code="u">https://aperta.ulakbim.gov.trrecord/52103/files/bib-0428112b-8cbe-4878-91c3-1ab123688bc7.txt</subfield> </datafield> <datafield tag="540" ind1=" " ind2=" "> <subfield code="u">http://www.opendefinition.org/licenses/cc-by</subfield> <subfield code="a">Creative Commons Attribution</subfield> </datafield> <datafield tag="024" ind1=" " ind2=" "> <subfield code="a">10.81043/aperta.52103</subfield> <subfield code="2">doi</subfield> </datafield> </record>
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