Search of hydrogen transition states on α-Fe: The monomer adapted to first principles calculations

Physica B: Condensed Matter

Volumn 404, Issue 18, 2009, Pages 2880-2882

  Ramunni, V P ^a,b   Pasianot, R C ^b,c   Bruzzoni, P ^c  

^a INSTITUTO DE CIENCIAS   (Argentina)

^b Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^c DEPARTAMENTO DE FÍSICA   (Argentina)

Author keywords

Ab initio; Diffusion migration; Embrittlement; Hydrogen; Steel

Indexed keywords

AB-INITIO; ATOMIC DEFECTS; DIFFUSION/MIGRATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; HIGH SYMMETRY; INTERSTITIAL HYDROGEN; MIGRATION BARRIERS; TRANSITION STATE;

CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; DIFFUSION BARRIERS; ELECTRONIC STRUCTURE; EMBRITTLEMENT; HYDROGEN; MONOMERS; STEEL;

HYDROGEN EMBRITTLEMENT;

EID: 69449097340     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.06.103     Document Type: Article

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