Mobile effect of hydrogen on intergranular decohesion of iron: First-principles calculations

Philosophical Magazine

Volumn 92, Issue 11, 2012, Pages 1349-1368

  Yamaguchi, Masatake ^a   Kameda, Jun ^b   Ebihara, Ken Ichi ^a   Itakura, Mitsuhiro ^a   Kaburaki, Hideo ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

first principles calculations; intergranular decohesion; iron; mobile and immobile effect of hydrogen; segregation

Indexed keywords

ATOMIC FRACTIONS; ATOMISTIC MECHANISM; COHESIVE ENERGIES; DE-COHESION; EFFECT OF HYDROGEN; FIRST-PRINCIPLES CALCULATION; FRACTURE SURFACES; HYDROGEN ATOMS; HYDROGEN CONTENTS; HYDROGEN INDUCED CRACKING; INTERGRANULAR DECOHESION; KEY FACTORS; REPULSIVE INTERACTIONS; SEGREGATION ENERGIES; TILT GRAIN BOUNDARY;

CALCULATIONS; GRAIN BOUNDARIES; IRON; SEGREGATION (METALLOGRAPHY); TEXTURES;

HYDROGEN;

EID: 84859557707     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786435.2011.645077     Document Type: Article

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