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Effect of kinetic and configurational thermostats on calculations of the first normal stress coefficient in nonequilibrium molecular dynamics simulations

journal contribution
posted on 2024-11-01, 12:05 authored by Peter DaivisPeter Daivis, Benjamin Dalton, Tetsuya Morishita
Thermostats for homogeneous nonequilibrium molecular dynamics simulations are usually designed to control the kinetic temperature, but it is now possible control any combination of many different types of temperature, including the configurational and kinetic temperatures and their directional components.

History

Related Materials

  1. 1.
    DOI - Is published in 10.1103/PhysRevE.86.056707
  2. 2.
    ISSN - Is published in 24700045

Journal

Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)

Volume

86

Number

056707

Issue

5

Start page

1

End page

7

Total pages

7

Publisher

American Physical Society

Place published

United States

Language

English

Copyright

© 2012 American Physical Society

Former Identifier

2006038716

Esploro creation date

2020-06-22

Fedora creation date

2013-01-07

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