Effect of impurities on grain boundary cohesion in bcc iron

Computational Materials Science

Volumn 43, Issue 4, 2008, Pages 736-743

  Wachowicz, E ^a   Kiejna, A ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

61.72.Mm; 68.35.Dv; 71.15.Mb; 71.15.Nc; 75.50.Bb; 75.70.Cn; Density functional calculations; Embrittlement; Grain boundary cohesion; Impurities; Iron; Magnetic moments

Indexed keywords

ADHESION; ATOMIC PHYSICS; ATOMS; BORON; BORON COMPOUNDS; CRYSTAL GROWTH; GRAIN BOUNDARIES; GRAIN SIZE AND SHAPE; IMPURITIES; IRON; MAGNETIC MOMENTS; MAGNETISM; NITROGEN; NONMETALS; OXYGEN;

61.72.MM; 68.35.DV; 71.15.MB; 71.15.NC; 75.50.BB; 75.70.CN; BCC-IRON; BULK VALUES; DENSITY FUNCTIONAL CALCULATIONS; EMBRITTLEMENT; EQUILIBRIUM DISTANCES; FE ATOMS; FIRST-PRINCIPLES CALCULATIONS; GRAIN BOUNDARY COHESION; INTERSTITIAL BORON; INTERSTITIAL SITES; SUPER CELLS;

GRAIN (AGRICULTURAL PRODUCT);

EID: 52949134087     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.01.063     Document Type: Article

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