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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.