A dissipative particle dynamics model of carbon nanotubes

A mesoscale dissipative particle dynamics model of single wall carbon nanotubes (CNTs) is designed and demonstrated. The coarse-grained model is produced by grouping together carbon atoms and by bonding the new lumped particles through pair and triplet forces. The mechanical properties of the simula...

Full description

Saved in:
Bibliographic Details
Published inMolecular simulation Vol. 34; no. 8; pp. 737 - 748
Main Authors Liba, Orly, Kauzlarić, David, Abrams, Zeév R., Hanein, Yael, Greiner, Andreas, Korvink, Jan G.
Format Journal Article
LanguageEnglish
Published Taylor & Francis Group 01.07.2008
Subjects
Carbon nanotubes
dissipative particle dynamics model
suspended tubes
vibrating tubes
Online AccessGet full text

Cover

More Information
Summary:A mesoscale dissipative particle dynamics model of single wall carbon nanotubes (CNTs) is designed and demonstrated. The coarse-grained model is produced by grouping together carbon atoms and by bonding the new lumped particles through pair and triplet forces. The mechanical properties of the simulated tube are determined by the bonding forces, which are derived by virtual experiments. Through the introduction of van der Waals interactions, tube-tube interactions were studied. Owing to the reduced number of particles, this model allows the simulation of relatively large systems. The applicability of the presented scheme to model CNT based mechanical devices is discussed.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0892-7022
1029-0435
DOI:10.1080/08927020802209909