Monovacancy in copper: Trapping efficiency for hydrogen and oxygen impurities

Computational Materials Science

Volumn 84, Issue , 2014, Pages 122-128

  Korzhavyi, P A ^a   Sandstrom R ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Ab initio calculations; Hydrogen trapping; Point defects

Indexed keywords

AB INITIO CALCULATIONS; DISSOLVED HYDROGEN; ELEVATED TEMPERATURE; FIRST-PRINCIPLES CALCULATION; HYDROGEN TRAPPING; INTERSTITIAL POSITIONS; TRAPPING EFFICIENCIES; VACANCY-IMPURITY COMPLEXES;

ATOMS; BINDING ENERGY; CALCULATIONS; COPPER; IMPURITIES; OXYGEN; POINT DEFECTS;

HYDROGEN;

EID: 84891613792     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.11.065     Document Type: Article

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