Brownian dynamics simulation of elliptic disks
Brownian dynamics simulation of elliptic disks
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2012
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Brownsche Dynamik Simulation elliptischer Scheiben
Publication type
Diploma thesis
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Abstract
Within this thesis, we consider Brownian dynamics simulations of anisotropic colloids modeled by elliptic disks. At first, a mathematical framework is developed in order to describe ellipses and to derive corresponding collision laws. Then, we introduce the conception of an event-driven algorithm. Within this scope, the collision time of two elliptic disks has to be determined. For this purpose, we employ a sequential quadratic programming method that solves the associated nonlinear optimization problem. Further studies involve overlap detection as well as performance evaluation of our simulation program. Moreover, all regarded methods are prepared for appliance to polydisperse systems. The overall subject is to provide an appropriate environment for simulating anisotropic particles.
Summary in another language
Im Rahmen dieser Diplomarbeit betrachten wir Simulationen zur brownschen Dynamik anisotroper Kolloide, welche durch elliptische Scheiben modelliert werden. Zuerst wird ein mathematisches Konzept entwickelt, um Ellipsen und die zugehörigen Stoßgesetze zu beschreiben. Anschließend erfolgt eine Einführung zur ereignisorientierten Simulationstechnik, welche die Bestimmung der Stoßzeit zweier elliptischer Scheiben erfordert. Um das resultierende nichtlineare Optimierungsproblem zu lösen, verwenden wir sequenzielle quadratische Programmierung und analysieren anschließend das Leistungsvermögen der entwickelten Algorithmen. Weiterhin wird ein Kriterium zur Überlapperkennung der elliptischen Scheiben vorgestellt, so dass gegebenenfalls entsprechende Korrekturschritte durchgeführt werden können. Alle erwähnten Methoden sind auf polydisperse Systeme ausgelegt, um eine direkte Anwendung auf binäre Mischungen zu ermöglichen. Das Gesamtziel ist die Bereitstellung einer geeigneten Simulationsumgebung für anisotrope Teilchen.
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530 Physics
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WÖTZEL, Mathias, 2012. Brownian dynamics simulation of elliptic disks [Master thesis]BibTex
@mastersthesis{Wotzel2012Brown-24686, year={2012}, title={Brownian dynamics simulation of elliptic disks}, author={Wötzel, Mathias}, note={Diplomarbeit} }
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Diplomarbeit