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Underresolved Simulations of Heat Baths

Cano, B. and Stuart, A. M. (2001) Underresolved Simulations of Heat Baths. Journal of Computational Physics, 169 (1). pp. 193-214. ISSN 0021-9991. https://resolver.caltech.edu/CaltechAUTHORS:20170609-132504945

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Abstract

Some recent numerical and theoretical studies indicate that it is possible to accurately simulate the macroscopic motion of a particle in a heat bath, comprising coupled oscillators, without accurately resolving the fast frequencies in the heat bath itself. Here we study this issue further by performing numerical experiments on a wide variety of mechanical heat bath models, all generalizations of the Ford–Kac oscillator model. The results indicate that the nature of the particle-bath damping in the macroscopic limit crucially affects the ability of underresolved simulations to correctly predict macroscopic behaviour. In particular, problems for which the damping is local in time pose more severe problems for approximation. The root cause is that local damping typically arises from the degeneration of a memory kernel to a delta singularity in the macroscopic limit. The approximation of such singularities is a more delicate issue than the approximation of smoother memory kernels.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1006/jcph.2001.6722DOIArticle
http://www.sciencedirect.com/science/article/pii/S0021999101967221PublisherArticle
Additional Information:© 2001 Academic Press. Received 24 February 2000, Revised 30 October 2000. Supported by JCL VA36/98 and DGICYT PB95-705.
Funders:
Funding AgencyGrant Number
JCLJCL VA36/98
Dirección General de Investigación Científica y Técnica (DGICT)DGICYT PB95-705
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Andrew StuartJ47
Issue or Number:1
Record Number:CaltechAUTHORS:20170609-132504945
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170609-132504945
Official Citation:B. Cano, A.M. Stuart, Underresolved Simulations of Heat Baths, Journal of Computational Physics, Volume 169, Issue 1, 1 May 2001, Pages 193-214, ISSN 0021-9991, https://doi.org/10.1006/jcph.2001.6722. (http://www.sciencedirect.com/science/article/pii/S0021999101967221)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78063
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:09 Jun 2017 21:23
Last Modified:03 Oct 2019 18:04

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