On Monday July 6th, the nanoHUB will be intermittently unavailable due to scheduled maintenance. All tool sessions will be shut down early in the morning. Home directories and tools will be unavailable most of the day. We apologize for any inconvenience this may cause. close

Support

Support Options

Submit a Support Ticket

 

Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls

By David M. Ceperley

University of Illinois at Urbana-Champaign

View Presentation (SWF)

Licensed according to this deed.

Published on

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," https://nanohub.org/resources/6420.

    BibTex | EndNote

Tags

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.