WFRF:(Oppelstrup Tomas 1977 )
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- Oppelstrup, Tomas,1977-KTH,Numerisk Analys och Datalogi, NADA (author)
First-Passage Kinetic Monte Carlo method
- Article/chapterEnglish2009
Publisher, publication year, extent ...
- 2009
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-11570
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-11570URI
- https://doi.org/10.1103/PhysRevE.80.066701DOI
Supplementary language notes
- Language:English
- Summary in:English
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- SwePubSwePub
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Notes
- Uppdaterad från manuskript till artikel: 20100805 QC 20100805
- 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.
Subject headings and genre
- NATURVETENSKAP Fysik Den kondenserade materiens fysik hsv//swe
- NATURAL SCIENCES Physical Sciences Condensed Matter Physics hsv//eng
- Brownian motion; Green's function methods; Monte Carlo methods; N-body problems; reaction-diffusion systems
- Defects and diffusion
- Defekter och diffusion
Added entries (persons, corporate bodies, meetings, titles ...)
- Bulatov, Vasily V. (author)
- Donev, Aleksandar (author)
- Kalos, Malvin H. (author)
- Gilmer, George H. (author)
- Sadigh, BabakKTH,Fysik(Swepub:kth)u1n1so6o (author)
- KTHNumerisk Analys och Datalogi, NADA (creator_code:org_t)
Related titles
- In:Physical Review E. Statistical, Nonlinear, and Soft Matter Physics80:6, s. 066701-1063-651X1095-3787
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