Application of Thermodynamic and Kinetic Modeling to Diffusion Simulations in Nickel-Base Superalloy Systems
This paper presents a brief review, followed by some new results from recent diffusion simulations in Ni-base superalloy systems, performed by means of a thermodynamic and kinetic modeling approach as taken in the commercial finite-difference code DICTRA. The DICTRA code solves the multi-component diffusion equations, combining assessed thermodynamic and kinetic data in order to determine the full composition dependent interdiffusion matrix. The link between fundamental physics based models and critically assessed data allows simulations to be performed with realistic conditions on alloys of practical importance. Emphasis in this paper is on modeling and simulation of interdiffusion occurring between NiAl coatings and Ni-base superalloy substrates. For this purpose we have used the so-called homogenization approach to diffusion in multi-phase systems, recently implemented into the DICTRA software. The simulation results have been validated against experimental data and the agreement is very satisfactory given the complexity of the problem.
A. Engström et al., "Application of Thermodynamic and Kinetic Modeling to Diffusion Simulations in Nickel-Base Superalloy Systems", Advanced Materials Research, Vol. 278, pp. 198-203, 2011