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Transition to thermal equilibrium in a crystal subjected to instantaneous deformation.

Anton KrivtsovA S Murachev
Published in: Journal of physics. Condensed matter : an Institute of Physics journal (2021)
An adiabatic transition between two equilibrium states corresponding to different stiffnesses in an infinite chain of particles is studied. Initially, the particles have random displacements and random velocities corresponding to uniform initial temperature distributions. An instantaneous change in the parameters of the chain initiates a transitional process. Analytical expressions for the chain temperature as a function of time are obtained from statistical analysis of the dynamic equations. It is shown that the transition process is oscillatory and that the temperature converges non-monotonically to a new equilibrium state, in accordance with what is usually unexpected for thermal processes. The analytical results are supplemented by numerical simulations.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high frequency
  • liquid chromatography
  • mass spectrometry
  • neural network