Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth

Computer Physics Communications

Volumn 182, Issue 9, 2011, Pages 1814-1818

  Rohrer, Jochen ^a   Hyldgaard, Per ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Atomistic modeling; Chemical vapor deposition; CVD; DFT; Growth

Indexed keywords

AB INITIO; ATOMISTIC MODELING; CHEMICAL COMPOSITIONS; CHEMICAL VAPOR; COMPUTATIONAL SCHEMES; DFT; EQUILIBRIUM THERMODYNAMICS; GROWTH CONDITIONS; GROWTH PROCESS; MULTI-LAYER-COATING; NON EQUILIBRIUM THERMODYNAMICS; RATE EQUATIONS; REALISTIC CONDITIONS; WEAR-RESISTANT;

THERMODYNAMICS; TITANIUM CARBIDE;

CHEMICAL VAPOR DEPOSITION;

EID: 79958145662     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.01.003     Document Type: Article

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