First principles impurity diffusion coefficients

Acta Materialia

Volumn 57, Issue 14, 2009, Pages 4102-4108

  Mantina, M ^a   Wang, Y ^a   Chen, L Q ^a   Liu, Z K ^a   Wolverton, C ^b  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b Northwestern University   (United States)

Author keywords

Activation energy and diffusion pre factor; Density functional theory; Dilute aluminum alloys; Tracer diffusion of Mg, Si, Cu

Indexed keywords

AL ALLOYS; CORRELATION FACTORS; DIFFUSIVITIES; DILUTE ALUMINUM ALLOYS; EXPERIMENTAL DATA; FACE-CENTERED CUBIC; FIRST-PRINCIPLE; FREQUENCY MODELS; IMPURITY DIFFUSION; MICROSCOPIC PARAMETER; TRACER DIFFUSION OF MG, SI, CU; TRANSITION STATE THEORIES; VACANCY FORMATION;

ALUMINA; ALUMINUM; ALUMINUM ALLOYS; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; DIFFUSION IN SOLIDS; IMPURITIES; PROBABILITY DENSITY FUNCTION; SILICON; SILICON ALLOYS; TIME VARYING SYSTEMS; VACANCIES; WAVE FUNCTIONS;

ACTIVATION ENERGY;

EID: 67650141865     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.05.006     Document Type: Article

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