Molecular Mechanics and Molecular Dynamics Simulations of Carbon Based Nanogears

Date

2009-04-01

Author

Tasci, Emre
Erkoç, Şakir

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A system containing two nanogears and two nanotubes acting as shafts is designed. Then, it is checked to see whether it is a stable one by means of the molecular mechanics simulation. After it was ensured that the system was suitable for consideration, molecular dynamics were applied but from the results it was observed that the selected potential was not appropriate by itself alone and reconsideration showed that improvements were to be made. This resulted in introduction of an additional potential and the simulations yielded more realistic results. As the outcome, acceleration is observed on the rotor nanogear causing the rotor nanogear to rotate faster than the motor nanogear driving it but both the snapshots of the system and the angular velocity progress showed that the rotor nanogear eventually slows down and waits until the next effective tooth of the motor nanogear comes into the vicinity, making the designed system a candidate to be used in future applications.

Subject Keywords

Electrical and Electronic Engineering, General Materials Science, General Chemistry, Condensed Matter Physics, Computational Mathematics

URI

https://hdl.handle.net/11511/56578

Journal

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

DOI

https://doi.org/10.1166/jctn.2009.1126

Collections

Department of Physics, Article

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Citation Formats

E. Tasci and Ş. Erkoç, “Molecular Mechanics and Molecular Dynamics Simulations of Carbon Based Nanogears,” JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, pp. 921–925, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56578.