First-principles calculation of Mg/MgO interfacial free energies

Journal of Alloys and Compounds

Volumn 650, Issue , 2015, Pages 228-238

  Xu, Wenwu ^a,b   Horsfield, Andrew P ^c   Wearing, David ^c   Lee, Peter D ^a,b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b Research Complex at Harwell   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Density functional theory; Interfacial free energy; Metal matrix nanocomposite; Mg MgO interface

Indexed keywords

CALCULATIONS; FREE ENERGY; MATERIALS PROPERTIES; METAL NANOPARTICLES; METALLIC MATRIX COMPOSITES; NANOCOMPOSITES;

FINITE TEMPERATURES; FIRST-PRINCIPLES CALCULATION; HARMONIC APPROXIMATION; INTERFACIAL FREE ENERGY; METAL MATRIX NANO COMPOSITES; QUANTITATIVE EVALUATION; STACKING SEQUENCE; SURFACES AND INTERFACES;

DENSITY FUNCTIONAL THEORY;

EID: 84938923945     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2015.07.289     Document Type: Article

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