Influence of shear strain on the hydrogen trapped in bcc-Fe: A first-principles-based study

Scripta Materialia

Volumn 60, Issue 7, 2009, Pages 555-558

  Matsumoto, Ryosuke ^a,b   Inoue, Yoshinori ^a   Taketomi, Shinya ^a,b   Miyazaki, Noriyuki ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Density functional; Hydrogen; Iron; Simulation; Trap energy

Indexed keywords

HYDROGEN; METALLIC COMPOUNDS; METALLURGY; NONMETALS; PROGRAMMING THEORY; SHEAR STRAIN;

BODY-CENTERED-CUBIC; DENSITY FUNCTIONAL; FIRST-PRINCIPLES; HYDROGEN TRAPS; INTERATOMIC POTENTIALS; IRON; LATTICE DEFECTS; METALS AND ALLOYS; SIMULATION; TRAP ENERGY; VOLUMETRIC STRAINS;

DENSITY FUNCTIONAL THEORY;

EID: 58849089530     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2008.12.009     Document Type: Article

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