APPLICABILITY OF NOSE ISOTHERMAL REVERSIBLE DYNAMICS

Authors
DITOLLA FD RONCHETTI M
Citation
Fd. Ditolla et M. Ronchetti, APPLICABILITY OF NOSE ISOTHERMAL REVERSIBLE DYNAMICS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 48(3), 1993, pp. 1726-1737
Citations number
38
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
48
Issue
3
Year of publication
1993
Pages
1726 - 1737
Database
ISI
SICI code
1063-651X(1993)48:3<1726:AONIRD>2.0.ZU;2-#
Abstract
In this work we characterize the conditions under which the Nose appro ach to isothermal molecular dynamics applied to a nontrivial system yi elds time averages that are equivalent to canonical phase averages, i. e., we, determine when the (extended) system verifies the quasiergodic property. Our results show that the dynamics can be tuned to produce a resonance between the characteristic frequencies of the heat bath an d those of the thermalized system by choosing a proper value for the i nertia of the heat bath.