A dissipative particle dynamics model of carbon nanotubes |
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| Authors: | Orly Liba David Kauzlarić Zeév R Abrams Andreas Greiner Jan G Korvink |
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| Institution: | 1. Department of Physical Electronics , The Iby and Aladar Fleischman Faculty of Engineering, School of Electrical Engineering, Tel-Aviv University , Tel-Aviv, Israel;2. Laboratory for Microsystems Simulation, Department of Microsystems Engineering , The Albert Ludwig University of Freiburg , Freiburg, Germany |
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| Abstract: | 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. |
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| Keywords: | Carbon nanotubes dissipative particle dynamics model suspended tubes vibrating tubes |
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