Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
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Recommendations
- Illinois PHYS 466, Lecture 4: Molecular Dynamics
- Illinois PHYS 466, Lecture 1: Introduction
- Illinois PHYS 466, Lecture 5: Interatomic Potentials
- Illinois PHYS 466, Lecture 19: The Ising Model
- Illinois PHYS 466, Lecture 10: Sampling
- Illinois PHYS 466, Lecture 17: Simulation of Polymers
- Illinois PHYS 466, Lecture 16: Free Energies from Simulations
- Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls
- Illinois PHYS 466, Lecture 11: Importance Sampling
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Abstract
Basics of Statistical Mechanics
- Review of ensembles
- Microcanonical, canonical, Maxwell-Boltzmann
- Constant pressure, temperature, volume,…
- Thermodynamic limit
- Ergodicity (see online notes also)
- Reading assignment: Frenkel and Smit pgs. 1-22.
Content:
- The Fundamentals according to Newton “Molecular Dynamics”
- Statistical Ensembles
- Environment
- Interaction with environment: E= E1 + E2
- Maxwell-Boltzmann Distribution
- Thermodynamic limit
- Ergodicity
- Different aspects of Ergodicity
- Particle in a smooth/rough circle
- Fermi- Pasta- Ulam “experiment” (1954)
- Distribution of normal modes
- Distribution of normal modes vs time-steps
- How do you judge if your results converged?
- Continuum of dynamical methods with different dynamics and ensembles
Credits
Submitted and Breezed by Omar Sobh
Sponsored by
NCN@Illinois
Cite this work
Researchers should cite this work as follows:
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David M. Ceperley (2009), "Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics," https://nanohub.org/resources/6198.