The location of atomic hydrogen in NiTi alloy: A first principles study

Computational Materials Science

Volumn 50, Issue 3, 2011, Pages 820-823

  Moitra, Amitava ^a   Solanki, Kiran N ^a   Horstemeyer, M F ^a  

^a MISSISSIPPI STATE UNIVERSITY   (United States)

Author keywords

Density functional theory; Hydrogen defect; Shape memory alloys

Indexed keywords

ATOM POSITIONS; ATOMIC HYDROGEN; B2 PHASE; BARRIER ENERGY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; HYDROGEN DEFECTS; LATTICE SITES; NITI ALLOYS; SHAPE MEMORY ALLOY; SURFACE ADSORPTION; SURFACE COVERAGES; SURFACE SITES;

ALLOYS; ATOMS; DEFECT DENSITY; DEFECTS; HYDROGEN; SHAPE MEMORY EFFECT;

DENSITY FUNCTIONAL THEORY;

EID: 78650702438     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.10.013     Document Type: Article

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