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Molekulardynamik und Molekulargraphik von Modellflüssigkeiten

Es werden molekulardanymik Methoden vorgestellt und auf verschiedene Systeme angewendet (Lorentz Gas, Fluid harter Kugeln). Im Fall des Lorentz Gases wird nach Asymmetrien in den An- und Abklingpfaden großer Fluktuationen der Stromstärke gesucht. Im Fall der harten Kugeln werden Verteilungen für Ges...

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Bibliographic Details
Main Author: Gabriel, Adrian
Contributors: Germano, Guido (Prof. Dr.) (Thesis advisor)
Format: Doctoral Thesis
Language:German
Published: Philipps-Universität Marburg 2011
Subjects:
Liquid crystals
Computer simulation
Molecular dynamics
Molekulardynamik
Molekulargraphik
Chemie
Molecular graphics
Coarse graining
Flüssigkristall
Computersimulation
Chemistry & allied sciences
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Methods of molecular dynamics are shown and used to simulate some Systems (Lorentz Gas, hard sphere fluid). In the case of the Lorentz Gas asymmetries in the paths of large fluctuations of the current are looked for. In the case of the hard sphere fluid the distributions of velocity and its components as well as the energy of the particles are worked out. Furthermore a graphics application which was developed in the scope of this work is introduced.

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