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Title: Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

Journal Article · · Physical Review E
 [1];  [2];  [3]
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. Duke Univ., Durham, NC (United States)
  3. Univ. of Helsinki, Helsingin yliopisto (Finland)
+ Show Author Affiliations

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remains conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1361160
Journal Information:
Physical Review E, Journal Name: Physical Review E Journal Issue: 6 Vol. 94; ISSN PLEEE8; ISSN 2470-0045
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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  • Nordhiem, L. W.
  • Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, Vol. 119, Issue 783, p. 689-698 https://doi.org/10.1098/rspa.1928.0126
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Cited By (1)

Nonintegrability and thermalization of one-dimensional diatomic lattices journal November 2019

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Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS