多尺度模擬在奈米膠粒的粒間作用研究(2/2)
Date Issued
2004
Date
2004
Author(s)
DOI
922211E002081
Abstract
The main objective of this research is to develop multiscale modeling techniques and simulation
toolkits for studying colloidal nanoparticle interactions. We have studied: (1) inter-particle
mechanisms and their corresponding numerical models for colloids, (2) stochastic nature of
Brownian dynamics and its integration with a deterministic discrete element method, and (3)
associated microscopic mechanisms and controlling factors of colloidal processes in the
laboratory.
Surface forces dominate the colloidal particle interactions at the microscopic scale. For colloids,
the inter-particle forces can be classified into the long-ranged, short-ranged and
very-short-ranged interaction forces. In this study, we have investigated the theories for these
interaction forces and implemented the corresponding numerical models in an object-oriented
discrete element analysis software program. Additionally, the effects of collisions with solvent
molecules have been studied. The stochastic nature of collisions has been incorporated through
the machinery of Brownian dynamics. Integrating Brownian dynamics with a discrete element
simulation improves the predictive abilities for colloidal particle dynamics. We have conducted
two technologically important case studies. The first case is to investigate packing structures of
photonic bandgap crystals and the second case is to study synthesis of bimodal core/shell
structures. Through these case studies, the associated microscopic mechanisms and controlling
factors during colloidal processes have been investigated.
Publisher
臺北市：國立臺灣大學土木工程學系暨研究所
Type
report
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