Comments on some aspects of Boltzmann H theorem using reversible molecular dynamics Article uri icon

abstract

  • We calculate the Boltzmann H function for a repulsive Lennard-Jones fluid using Levesque and Verlet's reversible molecular dynamics algorithm. We find, as predicted by Jaynes, that for certain initial states, H increases as a function of time. We also discuss the Grad limit within such a simulation.

publication date

  • 1997-01-01