MOLECULAR-DYNAMICS SIMULATIONS OF A THERMOCHEMICAL SYSTEM IN BISTABLEAND EXCITABLE REGIMES

Authors
GORECKI J KAWCZYNSKI AL
Citation
J. Gorecki et Al. Kawczynski, MOLECULAR-DYNAMICS SIMULATIONS OF A THERMOCHEMICAL SYSTEM IN BISTABLEAND EXCITABLE REGIMES, Journal of physical chemistry, 100(50), 1996, pp. 19371-19379
Citations number
11
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
100
Issue
50
Year of publication
1996
Pages
19371 - 19379
Database
ISI
SICI code
0022-3654(1996)100:50<19371:MSOATS>2.0.ZU;2-T
Abstract
Results of molecular dynamics (MD) simulations for a model thermochemi cal system in bistable and excitable regimes are reported. Internal fl uctuations observed in MD simulations have an important influence on t he behavior of the system. This behavior may be qualitatively explaine d on the basis of phenomenological dynamics. The system is very small (600 particles), but nevertheless, a fair agreement between stationary values of variables and the averages from MD simulations is obtained.