Multiscale Systems Theory With Application to Electrodeposition and Crystallization Process
Rusli, Effendi
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https://hdl.handle.net/2142/82386
Description
Title
Multiscale Systems Theory With Application to Electrodeposition and Crystallization Process
Author(s)
Rusli, Effendi
Issue Date
2006
Doctoral Committee Chair(s)
Braatz, Richard D.
Alkire, Richard C.
Department of Study
Chemical Engineering
Discipline
Chemical Engineering
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Engineering, Chemical
Language
eng
Abstract
The second half of the thesis addresses challenges to the modeling and control of multiscale reacting systems with application to copper electrodeposition. Chemical reacting systems involve phenomena that span several orders of magnitude in time and length scales, from the molecular to the macroscopic. To account for the multiscale character of these processes, many papers have adopted a simulation architecture that employs coupled simulation codes, in which each code simulates the physicochemical phenomena for a different range of length scales in the reacting system. A key issue in dynamically coupling simulation codes is that it is possible for the codes that solve the individual continuum or non-continuum models to be numerically stable, while the dynamic linkage of the individual codes is numerically unstable. Control system theories are used to gain insight into these numerical instabilities as well as to design linkage algorithms that modify the dynamic information passed between the individual codes to numerically stabilize their coupling, and to increase the numerical accuracy of the simulation results. The approach is applied to a coupled KMC-FD code for simulating copper electrodeposition in sub-micron trenches. Another challenge in building models for multiscale systems is the uncertainties in the physicochemical mechanisms. A methodology that includes stochastic parameter sensitivity analysis, maximum likelihood parameter estimation, and experimental design was developed for multiscale systems, to obtain a reliable model that is sufficiently accurate for use in robust optimal design and control studies. The methodology was applied to estimate the model parameters associated with the hypothesized IBM additive mechanisms that are believed to be responsible for the evolution of deposit shape and morphology in damascene copper electrodeposition.
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