Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls
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Recommendations
- Illinois PHYS 466, Lecture 4: Molecular Dynamics
- Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
- Illinois PHYS 466, Lecture 5: Interatomic Potentials
- Illinois PHYS 466, Lecture 1: Introduction
- Illinois PHYS 466, Lecture 10: Sampling
- Illinois PHYS 466, Lecture 19: The Ising Model
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- Lecture 4: Temperature Control
Category
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Abstract
Temperature and Pressure Controls
Content:
- Constant Temperature MD
- Quench method
- Brownian dynamics/Anderson thermostat
- Nose-Hoover thermostat (FS 6.1.2)
- Nose-Hoover thermodynamics
- Effect of thermostat
- Comparison of Thermostats
- Constant pressure or constant volume
- Constant Pressure (FS 6.2)
- Equations of motion
- Parrinello-Rahman simulation
- Features of Constant Pressure/Variable Structure Simulations
Credits
These notes were breezed and uploaded by Omar Sobh
Cite this work
Researchers should cite this work as follows:
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David M. Ceperley (2009), "Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls," https://nanohub.org/resources/6420.