Interaction between single-walled carbon nanotubes and polymers: A molecular dynamics simulation study with reactive force field

Computational Materials Science

Volumn 58, Issue , 2012, Pages 7-11

  Zaminpayma, Esmaeil ^a   Mirabbaszadeh, Kavoos ^a  

^a AMIRKABIR UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Carbon nanotube; Interaction energy; Molecular dynamics simulation; Polymer; Reactive force field

Indexed keywords

INTERACTION ENERGIES; INTERFACIAL ADHESIONS; LIGHTWEIGHT MATERIALS; MDMO-PPV; MEH-PPV; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MONOMER STRUCTURES; ORGANIC SOLAR CELL; POLY(3-HEXYTHIOPHENE); POLYMER (SOLID); RADIUS OF GYRATION; REACTIVE FORCE FIELD;

ADHESION; CARBON NANOTUBES; CHIRALITY; ENANTIOMERS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS;

POLYMERS;

EID: 84857707668     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.01.023     Document Type: Article

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