SwePub - sökning: onr:"swepub:oai:DiVA.org:kth-1...

Numrering	Referens	Omslagsbild	Hitta
1.	Oppelstrup, Tomas, 1977-, et al. (författare) First-Passage Kinetic Monte Carlo method 2009 Ingår i: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. - 1063-651X .- 1095-3787. ; 80:6, s. 066701- Tidskriftsartikel (refereegranskat)abstract We present a new effcient method for Monte Carlo simulations of diusion-reaction processes. First introduced by us in [Phys. Rev. Lett., 97:230602, 2006], the new algorithm skips the traditionalsmall diusion hops and propagates the diusing particles over long distances through asequence of super-hops, one particle at a time. By partitioning the simulation space into nonoverlappingprotecting domains each containing only one or two particles, the algorithm factorizesthe N-body problem of collisions among multiple Brownian particles into a set of much simplersingle-body and two-body problems. Ecient propagation of particles inside their protective domainsis enabled through the use of time-dependent Green's functions (propagators) obtained assolutions for the rst-passage statistics of random walks. The resulting Monte Carlo algorithmis event-driven and asynchronous; each Brownian particle propagates inside its own protectivedomain and on its own time clock. The algorithm reproduces the statistics of the underlyingMonte-Carlo model exactly. Extensive numerical examples demonstrate that for an importantclass of diusion-reaction models the new algorithm is effcient at low particle densities, whereother existing algorithms slow down severely.

Oppelstrup, Tomas, 1977-, et al. (författare)
First-Passage Kinetic Monte Carlo method
2009
Ingår i: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. - 1063-651X .- 1095-3787. ; 80:6, s. 066701-
Tidskriftsartikel (refereegranskat)abstract
- We present a new effcient method for Monte Carlo simulations of diusion-reaction processes. First introduced by us in [Phys. Rev. Lett., 97:230602, 2006], the new algorithm skips the traditionalsmall diusion hops and propagates the diusing particles over long distances through asequence of super-hops, one particle at a time. By partitioning the simulation space into nonoverlappingprotecting domains each containing only one or two particles, the algorithm factorizesthe N-body problem of collisions among multiple Brownian particles into a set of much simplersingle-body and two-body problems. Ecient propagation of particles inside their protective domainsis enabled through the use of time-dependent Green's functions (propagators) obtained assolutions for the rst-passage statistics of random walks. The resulting Monte Carlo algorithmis event-driven and asynchronous; each Brownian particle propagates inside its own protectivedomain and on its own time clock. The algorithm reproduces the statistics of the underlyingMonte-Carlo model exactly. Extensive numerical examples demonstrate that for an importantclass of diusion-reaction models the new algorithm is effcient at low particle densities, whereother existing algorithms slow down severely.

Träfflista för sökning "onr:"swepub:oai:DiVA.org:kth-11570" "

Avgränsa träffmängd