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  {\large\bf
  Molekulardynamische Simulation\\
  von Silizium
  }
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Frank Zirkelbach
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 {\small 14.06.2007}
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{\large\bf
 "Uberblick
}
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 {\color{blue} Molekulardynamische Simulation} von 
 {\color{green} Silizium}
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\begin{itemize}
 \item {\color{blue} Grundlagen} der {\color{blue}MD-Simulation}
 \item MD in der Praxis - die Numerik im Detail
 \item {\color{green} Potential} f"ur {\color{green} kovalent gebundene Materialien}
 \item Zusammengefasst: Die {\em moldyn} Bibliothek
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{\large\bf
 Atomistische Simulationen - Unterschied MC / MD
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 Methoden zur Beschreibung eines Vielteilchen-Systems\\
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MC:
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 \item stochastische Simulation
 \item Abrastern des Phasenraums durch Metropolis Algorithmus
 \item Systemgr"o"se: Mittelwert aus allen Monte Carlo Schritten
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MD:
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 \item deterministische Simulation
 \item N"achster Phasenraumpunkt bestimmt durch Bewegungsgleichung
 \item Systemgr"o"se: Mittelwert aus allen Zeitschritten
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Ergodenhypothese: Gleichheit der zwei Mittelwerte
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