Theory and simulations of crystal growth. Fundamental steps in morphology prediction
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[S.l. : s.n.]
Number of pages
XII, 254 p.
RU Radboud Universiteit Nijmegen, 15 februari 2005
Promotor : Vlieg, E. Co-promotores : Meekes, H.L.M., Enckevort, W.J.P. van
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Solid State Chemistry
SubjectSolid State Chemistry
The morphology or outer shape of a crystal is an important crystal property and has as such received much attention in the literature. The aim of the present thesis is to contribute to the study of crystal morphology by integrating the methods of three sub-disciplines within the field of crystal growth to come to a better understanding of the underlying mechanisms that determine the morphology. These are the study of atomistic models, continuum descriptions of growth mechanisms and morphology prediction methods. The thesis can be divided into two parts. The first part discusses classical microscopic models in detail to arrive at a better fundamental understanding of the crystal growth mechanisms and mainly deals with kink densities of growth steps and step free energies. It also discusses the influence that these parameters have on 2D nucleation, kinetic roughening and spiral growth. The second part studies some particular phenomena encountered in the growth of real crystals. These are studied using Monte Carlo simulations based on crystal graphs as models for these real crystals.
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