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Finite element simulation of complex interfacial segregation phenomena in dilute alloys
- Tancret, F., Fournier Dit Chabert, F., Christien, F., Le Gall, R.
- Journal of materials science 2009 v.44 no.17 pp. 4604-4612
- adhesion, alloys, catalytic activity, equations, finite element analysis, heat transfer, models, nickel
- Segregation of trace elements on a surface, at grain boundaries or more generally in any interface can have important consequences: adhesion of thin films, catalytic activity, embrittlement of steels by P or of nickel alloys by S, reinforcement of nickel alloys by B, etc. Segregation kinetics can be simulated by a finite element (FE) approach, by implementing the Darken–Du Plessis equation at the interface and Fick’s diffusion laws in the bulk. It is then possible to simulate segregation kinetics in non-isothermal conditions, and to couple segregation and macroscopic heat transfer calculations. A previously developed model is here adapted to the case of complex interfacial segregation phenomena: (i) segregation of a single species with a solute–solute or solute–solvent interaction, (ii) co-segregation of two species with a site competition in the interface, and (iii) segregation of a single species at an interface between two phases. Results are compared with available experimental data.