Icosahedral clusters: towards understanding the nature of the formation of quasicrystals

Bachelor Thesis (2023)
Author(s)

R. Calegari (TU Delft - Electrical Engineering, Mathematics and Computer Science)

Contributor(s)

D. Palagin – Mentor (TU Delft - Numerical Analysis)

C. Kraaikamp – Graduation committee member (TU Delft - Applied Probability)

Faculty
Electrical Engineering, Mathematics and Computer Science
Copyright
© 2023 Rosa Calegari
More Info
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Publication Year
2023
Language
English
Copyright
© 2023 Rosa Calegari
Graduation Date
19-07-2023
Awarding Institution
Delft University of Technology
Programme
['Applied Mathematics']
Faculty
Electrical Engineering, Mathematics and Computer Science
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Abstract

This thesis aims to enhance the understanding of quasicrystal formation by integrating global geometry optimization and atomic simulations using the Oscillating Pair Potential (OPP). Quasicrystals, with non-periodic long-range order and forbidden rotational symmetries, have captivated scientists since their discovery. This research combines the use of OPP and geometry optimization techniques to investigate the energetically stable structures of quasicrystalline materials.

The core of the thesis revolves around the implementation of the aforementioned computational methods using the HOOMD-blue Python package. Simulations explore clusters with varying numbers of atoms under different potentials, comparing the stable structures formed. The results provide valuable insights into the formation of icosahedral quasicrystals.

This study contributes to the understanding of quasicrystal formation, unlocking new possibilities for material design and technological advancements.

Files

Final_BEP.pdf
(pdf | 8.36 Mb)
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