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Comparative analysis, modeling and simulation of Nanocrystal synthesis by Physical Vapor Deposition methods Open Access


Other title
Kinetic Monte Carlo Simulation
Type of item
Degree grantor
University of Alberta
Author or creator
Bhuiyan, Abuhanif
Supervisor and department
Dew, Steve (Electrical and Computer Engineering)
Stepanova, Maria (Electrical and Computer Engineering)
Examining committee member and department
Mitlin, David (Chemical and Materials Engineering)
Chen, Jie (Electrical and Computer Engineering)
Brett, Michael (Electrical and Computer Engineering)
Alves, Horacio (University of Sao Paulo)
Department of Electrical and Computer Engineering

Date accepted
Graduation date
Doctor of Philosophy
Degree level
Nanotechnology is rapidly becoming one of the most influential frontiers of technology. Nanocrystal (NC) synthesis is potentially one of the central processes in nanoelectronics due to its ability to improve performance of electronics devices. Physical vapor deposition (PVD) is one of the most flexible techniques to fabricate self-assembled arrangements of nanoclusters. Controllable fabrication of such assemblies can improve reliability of nanocapacitors, enhance performance of magnetic memories, and has many applications in opto-electronics devices, etc. However, size, shape and density of NC’s are highly sensitive to the process conditions such as time, rate, temperature, substrate material, etc. To efficiently synthesize nanocrystalline arrays by PVD, the process control factors should be understood in greater detail. A systematic functional modeling tool for simulating NC synthesis will have significant value in industry as well as in academia. In this work, I compare different modeling techniques and present lattice based and off-lattice Kinetic Monte Carlo (KMC) simulation models of both 2d and 3D structures. I developed the models and report simulations that explicitly represent the PVD synthesis of NCs on substrates. I also studied how by varying the parameters a process engineer can have control on the self assembled synthesis of NCs. The results are compared with experimentally observed surface morphologies generated by PVD and demonstrate that KMC models like this are an efficient tool for computer-aided design of PVD processes for synthesis of NCs.
License granted by Abuhanif Bhuiyan ( on 2011-09-30T15:49:00Z (GMT): Permission is hereby granted to the University of Alberta Libraries to reproduce single copies of this thesis and to lend or sell such copies for private, scholarly or scientific research purposes only. Where the thesis is converted to, or otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of the above terms. The author reserves all other publication and other rights in association with the copyright in the thesis, and except as herein provided, neither the thesis nor any substantial portion thereof may be printed or otherwise reproduced in any material form whatsoever without the author's prior written permission.
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