SELF-CONSISTENT DISSIPATIVE PARTICLE DYNAMICS ALGORITHM

Citation
I. Pagonabarraga et al., SELF-CONSISTENT DISSIPATIVE PARTICLE DYNAMICS ALGORITHM, Europhysics letters, 42(4), 1998, pp. 377-382
Citations number
14
Categorie Soggetti
Physics
Journal title
ISSN journal
02955075
Volume
42
Issue
4
Year of publication
1998
Pages
377 - 382
Database
ISI
SICI code
0295-5075(1998)42:4<377:SDPDA>2.0.ZU;2-C
Abstract
We propose an implementation of dissipative particle dynamics that is free of the inconsistencies that plagued earlier algorithms. The prese nt algorithm satisfies a form of microscopic reversibility. As a conse quence, we recover the correct equilibrium properties. Moreover, we ca n use much larger time steps than previously. We report a detailed com parison between simulated transport properties and the theoretical pre dictions. We find that the existing theory is only valid under very sp ecial conditions. A more general theory is still lacking.