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First-Passage Monte Carlo Algorithm: Diffusion without All the Hops
KTH, School of Computer Science and Communication (CSC), Numerical Analysis and Computer Science, NADA.
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2006 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 97, 230602- p.Article in journal (Refereed) Published
Abstract [en]

We present a novel Monte Carlo algorithm for N diffusing finite particles that react on collisions. Using the theory of first-passage processes and time dependent Green’s functions, we break the difficult N-body problem into independent single- and two-body propagations circumventing numerous diffusion hopsused in standard Monte Carlo simulations. The new algorithm is exact, extremely efficient, and applicablet o many important physical situations in arbitrary integer dimensions.

Place, publisher, year, edition, pages
2006. Vol. 97, 230602- p.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-11568DOI: 10.1103/PhysRevLett.97.230602ISI: 000242708900007Scopus ID: 2-s2.0-33845276991OAI: oai:DiVA.org:kth-11568DiVA: diva2:277758
Note
PACS numbers: 05.10.Ln, 02.60.Cb, 02.70.Tt, 02.70.Uu QC 20100805Available from: 2009-11-20 Created: 2009-11-20 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Simulation of relaxation processes in complex condensed matter systems: Algorithmic and physical aspets
Open this publication in new window or tab >>Simulation of relaxation processes in complex condensed matter systems: Algorithmic and physical aspets
2009 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis summarizes interrelated simulation studies of three different physical phenomena. The three topics are: simulation of work hardening of materials using dislocation dynamics, investigation of anomalous diffusion in supercooled liquids using molecular dynamics,and kinetic Monte-Carlo simulation of annealing of radiation damaged materials. All three topics require special algorithms in order to enable physically relevant simulations. The author's contributionconsists of development, implementation, and optimization of these algorithms, as well as interpretation of simulation results.

Place, publisher, year, edition, pages
Stockholm: KTH, 2009. ix, 27 p.
Series
Trita-CSC-A, ISSN 1653-5723 ; 2009:21
National Category
Condensed Matter Physics Computational Mathematics Materials Engineering Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-11574 (URN)978-91-7415-515-0 (ISBN)
Public defence
2009-12-10, D3, main building, Lindstedsvägen 3, KTH, Stockholm, 10:00 (English)
Opponent
Supervisors
Note
QC 20100805Available from: 2009-11-20 Created: 2009-11-20 Last updated: 2010-08-05Bibliographically approved

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