On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions
2008 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 56, no 15, 3754-3760 p.Article in journal (Refereed) Published
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.
diffusion, interface migration, local equilibrium, finite difference, modelling, dictra
IdentifiersURN: urn:nbn:se:kth:diva-17839DOI: 10.1016/j.actamat.2008.04.008ISI: 000259409300004ScopusID: 2-s2.0-48449084984OAI: oai:DiVA.org:kth-17839DiVA: diva2:335884
QC 201005252010-08-052010-08-05Bibliographically approved