Finding the right tools for simulated nanoscale floristry
1University of Oulu, Faculty of Science, Physics
|Online Access:||PDF Full Text (PDF, 3.4 MB)|
|Persistent link:|| http://urn.fi/URN:NBN:fi:oulu-201606022164
|Publish Date:|| 2016-06-02
|Thesis type:||Bachelor's thesis
I preformed classical molecular dynamics simulations where two silicon carbide nanoparticles of different sizes were held in high temperatures, and examined the changes in the nanoparticles’ structures. In the smaller of the two simulations, the growth of a curved carbon layer was observed, while the length of the larger simulation wasn’t long enough for a similar structure to form. Additionally, I re-evaluated the suitability of the potential chosen for the simulations, namely, the Tersoff potential with parametrization by Erhart and Albe.
© Olli Mansikkamäki, 2016. This publication is copyrighted. You may download, display and print it for your own personal use. Commercial use is prohibited.