University of Oulu

Finding the right tools for simulated nanoscale floristry

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Author: Mansikkamäki, Olli1
Organizations: 1University of Oulu, Faculty of Science, Physics
Format: ebook
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 3.4 MB)
Pages: 21
Persistent link:
Language: English
Published: Oulu : O. Mansikkamäki, 2016
Publish Date: 2016-06-02
Thesis type: Bachelor's thesis
Tutor: Alatalo, Matti
Reviewer: Thuneberg, Erkki
Alatalo, Matti
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.
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Copyright information: © Olli Mansikkamäki, 2016. This publication is copyrighted. You may download, display and print it for your own personal use. Commercial use is prohibited.