First-principles study of solute-vacancy binding in magnesium

Acta Materialia

Volumn 58, Issue 2, 2010, Pages 531-540

  Shin, Dongwon ^a   Wolverton, Christopher ^a  

^a Northwestern University   (United States)

Author keywords

First principles calculations; Magnesium alloys; Solute vacancy binding

Indexed keywords

3D TRANSITION METALS; BINDING ENERGETICS; DIFFUSION KINETICS; EXPERIMENTAL VALIDATIONS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDY; HARDENABILITY; HARDENING RESPONSE; LARGE DATABASE; MG ALLOY; MICROALLOYING ELEMENTS; MIXING ENERGIES; PHYSICAL EFFECTS; SOLUTE ATOMS; SOLUTE IMPURITIES; SOLUTE-VACANCY BINDING; VACANCY FORMATION ENERGIES;

ALLOYS; BINDING SITES; CALCIUM; DENSITY FUNCTIONAL THEORY; LEAD; MAGNESIUM; MAGNESIUM ALLOYS; NUCLEAR ENERGY; PLATINUM; POTENTIAL ENERGY; SILVER; SODIUM; TIN; VACANCIES; ZINC;

BINDING ENERGY;

EID: 70449476990     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.09.031     Document Type: Article

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