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Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls

By David M. Ceperley

University of Illinois at Urbana-Champaign

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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:

  • David M. Ceperley (2009), "Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls," http://nanohub.org/resources/6420.

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