Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 33-43

  Taghavi, Fariba ^a   Javadian, Soheila ^a   Hashemianzadeh, Seyed Majid ^b  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b IRAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Iran)

Author keywords

Confined water; Diffusion coefficient (D); Molecular dynamics simulation; Radial density profile; Single walled silicon carbide nanotube (SWSiCNT)

Indexed keywords

CARBON; DIFFUSION; DIFFUSION IN LIQUIDS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; NANOTUBES; SILICON; SILICON CARBIDE; YARN;

CONFINED WATER; DRUG DELIVERY APPLICATIONS; MOLECULAR DYNAMICS SIMULATIONS; ORIENTATION OF WATER MOLECULES; RADIAL DENSITY PROFILE; SILICON CARBIDE NANOTUBES; SINGLE-WALLED BORON NITRIDE NANOTUBES; WATER DIFFUSION COEFFICIENTS;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

SILICON CARBIDE; SINGLE WALLED NANOTUBE; SINGLE WALLED SILICON CARBIDE NANOTUBE; UNCLASSIFIED DRUG; WATER;

ACCOMMODATION; ARTICLE; BULK DENSITY; CHEMICAL BOND; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIFFUSION COEFFICIENT; DIPOLE; DRUG DELIVERY SYSTEM; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; RIGIDITY; STATIC ELECTRICITY; WATER STRUCTURE;

CONFINED WATER; DIFFUSION COEFFICIENT (D); MOLECULAR DYNAMICS SIMULATION; RADIAL DENSITY PROFILE; SINGLE-WALLED SILICON CARBIDE NANOTUBE (SWSICNT);

CARBON COMPOUNDS, INORGANIC; DIFFUSION; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; NANOTUBES, CARBON; SILICON COMPOUNDS; SPECIFIC GRAVITY; WATER;

EID: 84878408176     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.04.012     Document Type: Article

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