Toward stronger Al-BN nanotube composite materials: Insights into bonding at the Al/BN interface from first-principles calculations

Journal of Physical Chemistry C

Volumn 118, Issue 46, 2014, Pages 26894-26901

  Krasheninnikov, Arkady V ^a   Berseneva, Natalia ^a   Kvashnin, Dmitry G ^b   Enkovaara, Jussi ^a,c   Björkman, Torbjörn ^a   Sorokin, Pavel ^b,d,e   Shtansky, Dmitry ^b   Nieminen, Risto M ^a   Golberg, Dmitri ^f  

^a AALTO UNIVERSITY   (Finland)

^b NATIONAL UNIVERSITY OF SCIENCE AND TECHNOLOGY MISIS   (Russian Federation)

^c CSC Scientific Computing Ltd   (Finland)

^d TECHNOLOGICAL INSTITUTE FOR SUPERHARD AND NOVEL CARBON MATERIALS   (Russian Federation)

^e MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

^f NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; ALUMINUM; ATOMS; AUTOMOTIVE INDUSTRY; CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; KNOWLEDGE MANAGEMENT; MECHANICAL PROPERTIES; NANOTUBES; POINT DEFECTS; SHEAR STRESS; SUBSTITUTION REACTIONS; VAN DER WAALS FORCES;

CRITICAL SHEAR STRESS; DEFECT CONCENTRATIONS; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; IMPROVED MECHANICAL CHARACTERISTICS; INTERFACE BONDING; NANOTUBE COMPOSITES; SUBSTITUTIONAL IMPURITIES;

ALUMINUM METALLOGRAPHY;

EID: 84914682501     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp509505j     Document Type: Article

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