First principles investigation of zinc-induced embrittlement in an aluminum grain boundary

Acta Materialia

Volumn 59, Issue 15, 2011, Pages 6155-6167

  Zhang, Shengjun ^a   Kontsevoi, Oleg Y ^b   Freeman, Arthur J ^a,b   Olson, Gregory B ^a  

^a Northwestern University   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Aluminum; Embrittlement; Full potential linearized augmented plane wave method; Grain boundary; Stress corrosion cracking

Indexed keywords

AB INITIO; AL ALLOYS; ATOMIC SIZES; BONDING CHARACTER; DRIVING FORCES; ELECTRONIC LEVELS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; FRACTURE PATH; FREE SURFACES; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GRAIN BOUNDARY EMBRITTLEMENT; GRAIN-BOUNDARY STRENGTH; INTERGRANULAR STRESS CORROSION CRACKING; SEGREGATION ENERGIES; STRUCTURAL APPLICATIONS; TENSILE TESTS; THERMODYNAMIC MODEL;

ALUMINUM; ALUMINUM ALLOYS; ATOMS; CALCULATIONS; CERIUM ALLOYS; ELASTIC WAVES; ELECTRONIC STRUCTURE; EMBRITTLEMENT; FRACTURE; GRAIN (AGRICULTURAL PRODUCT); GRAIN BOUNDARIES; GRAIN SIZE AND SHAPE; LINEARIZATION; RESIDUAL STRESSES; STRESS CORROSION CRACKING; TENSILE TESTING; ZINC; ZINC ALLOYS;

SEGREGATION (METALLOGRAPHY);

EID: 79961012370     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.06.028     Document Type: Article

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