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On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Physical Metallurgy.ORCID iD: 0000-0001-8797-4585
2008 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 56, no 15, 3754-3760 p.Article in journal (Refereed) Published
Abstract [en]

To estimate the interfacial velocity in a multicomponent moving boundary problem, existing procedures require an interative technique too be used if a sharp interface methods is employed. The need to use an interactive technique can cause convergence problems; these become more frequent as more components are added. In this paper, two new methods are suggested which allow the velocity of a phase interface to be evaluated directly from the fluxes of the components Wider the assumption of local equilibrium. The methods assume that the interface has a fixed width in which the incoming and outgoing components are distributed in a way that moves the interface while maintaining local equilibrium. Example simulations are presented and results are ill good agreement with established front-tracking simulation software (DICTRA) moreover. the superior convergence of the new methods is demonstrated .

Place, publisher, year, edition, pages
2008. Vol. 56, no 15, 3754-3760 p.
Keyword [en]
diffusion, interface migration, local equilibrium, finite difference, modelling, dictra
URN: urn:nbn:se:kth:diva-17839DOI: 10.1016/j.actamat.2008.04.008ISI: 000259409300004ScopusID: 2-s2.0-48449084984OAI: diva2:335884
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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