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Statistical error in simulations of Poisson processes: Example of diffusion in solids
KTH Royal Inst Technol, Dept Mat Sci & Engn, Brinellvagen 23, S-10044 Stockholm, Sweden..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
KTH Royal Inst Technol, Dept Mat Sci & Engn, Brinellvagen 23, S-10044 Stockholm, Sweden..
Linkoping Univ, Dept Phys Chem & Biol IFM, S-58183 Linkoping, Sweden..
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2016 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 94, no 8, 085206Article in journal (Refereed) Published
Abstract [en]

Simulations of diffusion in solids often produce poor statistics of diffusion events. We present an analytical expression for the statistical error in ion conductivity obtained in such simulations. The error expression is not restricted to any computational method in particular, but valid in the context of simulation of Poisson processes in general. This analytical error expression is verified numerically for the case of Gd-doped ceria by running a large number of kinetic Monte Carlo calculations.

Place, publisher, year, edition, pages
2016. Vol. 94, no 8, 085206
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-305562DOI: 10.1103/PhysRevB.94.085206ISI: 000383030900005OAI: oai:DiVA.org:uu-305562DiVA: diva2:1038656
Funder
Swedish Energy Agency, 35515-1Carl Tryggers foundation , 14:433Swedish Research Council, 2014-5993, 2011-42-59
Available from: 2016-10-19 Created: 2016-10-19 Last updated: 2016-10-19Bibliographically approved

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Leetmaa, MikaelSkorodumova, Natalia V.
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