Oxidation of silicon carbide by O 2 and H 2O: A ReaxFF reactive molecular dynamics study, part i

Journal of Physical Chemistry C

Volumn 116, Issue 30, 2012, Pages 16111-16121

  Newsome, David A ^a   Sengupta, Debasis ^a   Foroutan, Hosein ^b   Russo, Michael F ^b   Van Duin, Adri C T ^b  

^a CFD RESEARCH CORPORATION   (United States)

^b The Pennsylvania State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING INTERACTIONS; C-C BOND FORMATION; EQUATION OF STATE; HEAT OF FORMATION; INITIAL OXIDATION; MOLECULAR DYNAMICS METHODS; SI-C BOND; SIMULTANEOUS FORMATION; THREE-ATOM CLUSTERS;

BINDING ENERGY; CARBON DIOXIDE; COMPUTER SIMULATION; GRAPHITE; MOLECULAR DYNAMICS; OXIDATION; QUANTUM THEORY; SILICON CARBIDE; THERMOCHEMISTRY;

SILICON;

EID: 84864468597     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp306391p     Document Type: Article

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