Publikationsserver der Universitätsbibliothek Marburg

Titel:Molekulardynamik und Molekulargraphik von Modellflüssigkeiten
Autor:Gabriel, Adrian
Weitere Beteiligte: Germano, Guido (Prof. Dr.)
Veröffentlicht:2011
URI:https://archiv.ub.uni-marburg.de/diss/z2011/0055
DOI: https://doi.org/10.17192/z2011.0055
URN: urn:nbn:de:hebis:04-z2011-00554
DDC: Chemie
Titel (trans.):Molecular dynamics and molecular graphics of model fluids
Publikationsdatum:2011-02-09
Lizenz:https://rightsstatements.org/vocab/InC-NC/1.0/

Dokument

Schlagwörter:
Coarse graining, Computersimulation, Coarse graining, Molekulardynamik, Molekulargraphik, Molecular graphics, Molecular dynamics, Liquid crystals, Computer simulation, Flüssigkristall

Zusammenfassung:
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 Geschwindigkeit und deren Komponenten, sowie der Energie der Teilchen ermittelt. Des Weiteren wird ein Grafikprogramm vorgestellt, welches im Rahmen der Arbeit entwickelt wurde.

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