Hauptseminar Moderne Simulationsmethoden WS 2009/Transport Properties

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Literatur

Physics Reports 377, 1 (Review)

Allen/Tildesley Computer Simulations of Liquids, Oxford, Chapter 8, Section 6.5.5

Rapaport The Art of Molecular Dynamics Simulations, Cambridge, Chapter 5

Evans/Morriss Statistical Mechanics of NonEquilibrium Liquids, Academic Press 1990, Chapters 3,4,5,6

Lothar Marquardt, Studium der Wärmeleitfähigkeit von Quasikristallen mit numerischer Simulation, Diplomarbeit, Stuttgart 2000

Jutta Kaiser, Zur Berechnung von Transportkoeffizienten in Quasikristallen, Lehramtsarbeit, Stuttgart 1998

Phys Rev B 45 (1992) 7054

J Chem Phys 112 (2000) 2436, 106 (1997) 6082

Phys Lett 91A (1982) 457

Phys Rev B 43 (1991) 6573

Phys Lett A 117 (1986) 414

Phys Rev A 25 (1982) 2778

Gliederungsvorschlag

1. Physical Background

Phonons, Electrons, Temperature Dependence

2. Linear Response Theory

3. Equilibrium Simulation Methods

4. Non-Equilibrium Simulation Methods

5. Differences between Solids and Liquids

6. Discussion of the Accuracy of the Methods