UNSPECIFIED. (2001) Underresolved simulations of heat baths. JOURNAL OF COMPUTATIONAL PHYSICS, 169 (1). pp. 193-214. ISSN 0021-9991

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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. (C) 2001 Academic Press.

Item Type:	Journal Article
Subjects:	Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software Q Science > QC Physics
Journal or Publication Title:	JOURNAL OF COMPUTATIONAL PHYSICS
Publisher:	ACADEMIC PRESS INC
ISSN:	0021-9991
Date:	1 May 2001
Volume:	169
Number:	1
Number of Pages:	22
Page Range:	pp. 193-214
Identification Number:	10.1006/jcph.2001.6722
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/12224

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