Molecular Mechanics and Molecular Dynamics Simulations of Carbon Based Nanogears

Date

2009-04-01

Author

Tasci, Emre
Erkoç, Şakir

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

151
views

0
downloads

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

Suggestions

OpenMETU
Core

Transferability of Sutton-Chen Potential Parameters in Au-Ni Binary Metal Alloys Uludogan, M.; Cagin, T.; Tomak, Mehmet (American Scientific Publishers, 2009-04-01) The dynamic and static properties of Au, Ni and Au-Ni alloy system are investigated by means of Molecular Dynamics using the Sutton-Chen potential. Two different potential parameters set are applied for this potential: The original Sutton-Chen parameters set and quantum-Sutton-Chen parameters set. This work concentrates on the transferability of potential model parameters by means of enthalpy of mixing, nearest neighbor Warren-Cowley short-range order parameter, diffusion coefficient, and the static structu...
Molecular Dynamics Simulations of Zinc Oxide Nanostructures Under Strain: I-Nanoribbons Kilic, Mehmet Emin; Erkoç, Şakir (American Scientific Publishers, 2013-01-01) Structural properties of zinc oxide nanoribbons have been investigated by performing classical molecular dynamics simulations. Atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, namely 1 K and 300 K. It has been found that strained ZnO nanostructures undergo a structural change depending on temperature and geometry.
Molecular Dynamics Simulations of ZnO Nanostructures Under Strain: II-Nanorods Kilic, Mehmet Emin; Erkoç, Şakir (American Scientific Publishers, 2013-01-01) Structural properties of zinc oxide nanorods have been investigated by performing classical molecular dynamics simulations. Atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, 1 K and 300 K. It has been found that ZnO nanostructures following strain application undergo a structural change depending on temperature and geometry.
Structural Properties of Silicon Nanorods Under Strain: Molecular Dynamics Simulations Ozdamar, Burak; Erkoç, Şakir (American Scientific Publishers, 2013-01-01) Structural properties of silicon nanorods generated from low-index plane surfaces (100), (110), and (111) with different cross-sections have been investigated by performing classical molecular dynamics simulations. An atomistic potential function consisting of a combination of two- and three-body interactions has been used to represent the interactions among the atoms. Strain has been applied to the generated Si nanorods along the uniaxial rod direction at two different temperatures; 1 K and 300 K. Si nanor...
Circumferentially cracked bimaterial hollow cylinder under mechanical and transient thermal loading Kadıoğlu, Fevzi Suat (Informa UK Limited, 2006-12-01) The analytical solution for the problem of a circumferential inner surface crack in an elastic, infinitely long composite hollow cylinder, made of two concentric perfectly bonded transversely isotropic cylinders is considered. Uniform axial loading and thermal loading in the form of a sudden cooling on the inner boundary are considered. Out of 10 material parameters involved, two bimaterial parameters and three material parameters for each layer upon which the stress intensity factor depends under uniform l...

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.