First-principles study of self-diffusion in hcp Mg and Zn

Computational Materials Science

Volumn 50, Issue 2, 2010, Pages 301-307

  Ganeshan, S ^a   Hector Jr , L G ^b   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b GENERAL MOTORS CORPORATION   (United States)

Author keywords

Density functional theory; Diffusion; First principles; Magnesium; Zinc

Indexed keywords

BASAL PLANES; DIFFUSION ANISOTROPY; DIRECT METHOD; EXPERIMENTAL DATA; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENTS; LATTICE DYNAMICS; LOWER AND UPPER BOUNDS; MINIMUM ENERGY; NUDGED ELASTIC BAND; SADDLE POINT; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS; VIBRATIONAL PROPERTIES;

CRYSTAL LATTICES; DIFFUSION; MAGNESIUM; SOLIDS; ZINC;

DENSITY FUNCTIONAL THEORY;

EID: 78449258213     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.08.019     Document Type: Article

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