The role of ab initio electronic structure calculations in studies of the strength of materials

Materials Science and Engineering: A

Volumn 387-389, Issue 1-2 SPEC. ISS., 2004, Pages 148-157

  Sob M ^a   Friak M ^a,b   Legut, D ^a,c   Fiala, J ^c   Vitek, V ^d  

^a INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

^b MASARYK UNIVERSITY   (Czech Republic)

^c BRNO UNIVERSITY OF TECHNOLOGY   (Czech Republic)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Ab initio electronic structure calculations; Intermetallic compounds; Magnetism; Metals; Non linear elasticity; Theoretical tensile strength

Indexed keywords

ANISOTROPY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DEFORMATION; ELECTRONIC STRUCTURE; INTERMETALLICS; IRON; NICKEL COMPOUNDS; QUANTUM THEORY;

AB INITIO ELECTRONIC STRUCTURE CALCULATIONS; DEFORMATION PATHS; QUANTUM-MECHANICAL ELECTRONIC STRUCTURE;

TENSILE STRENGTH;

MECHANICAL PROPERTY;

EID: 10644223334     PISSN: 09215093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.msea.2003.10.376     Document Type: Article

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