On the numerical simulation of diffusion-controlled reactions under local equilibrium conditions

Henrik Larsson, Roger Reed

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

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 . (c) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Original languageEnglish
Pages (from-to)3754-3760
Number of pages7
JournalActa Materialia
Volume56
Issue number15
DOIs
Publication statusPublished - 1 Jan 2008

Keywords

  • diffusion
  • local equilibrium
  • interface migration
  • finite difference modelling

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