Abstract:A numerical model is presented to simulate the diffusional transport of oxygen and that of an alloying element, within a 1-D binary Ni alloy, leading to the selective oxidation of the alloying element and the formation of an internal oxide precipitate. This specific model is written in MATLAB and, with the aid of the Matlab Toolbox, is coupled to the ThermoCalc extensive database. A reaction time is introduced to overcome problems related to the difficulty of formation of the internal oxide. Two cases are cons… Show more
“…A very well-known approach is the application of the finite-difference method (FDM) which was applied to carburization, internal oxidation and internal nitridation, e.g., by Bongartz et al [4]. Sockel and Christ [5], Li and Morral [6], and coupled with computational thermodynamics (CALPHAD, calculation of phase diagrams) by Zimbitas and Sloof [7] and Krupp et al [8]. As another technique, the phase-field approach (PF) was applied by Wen et al [9] to model onedimensional corrosion kinetics with simplified model parameters, and by Shen et al for precipitate formation in binary Ni-Al alloys [10].…”
The cellular automata method offers a promising approach to describe diffusion and diffusion-controlled precipitation processes at high temperatures. During high temperature exposure, technical components like gas-turbine blades, furnaces, or exhaust systems, are operating in corrosive atmospheres. The resulting material-degradation processes are diffusion‐controlled, and corrosive species penetrate into the material leading to the formation of embrittling precipitates. Cellular automata (CA) represent distributed dynamical systems whose structure is particularly well suited to determine the temporal evolution of the system. In this study, it is shown that the model is able to consider diffusion, nucleation and growth aspects, interdiffusion between scales, and high diffusivity paths like grain boundaries. This has been demonstrated by applying CA to (i) nitrogen diffusion, (ii) internal intergranular oxidation of nickel-based alloy, and (iii) interdiffusion of a binary diffusion couple.
“…A very well-known approach is the application of the finite-difference method (FDM) which was applied to carburization, internal oxidation and internal nitridation, e.g., by Bongartz et al [4]. Sockel and Christ [5], Li and Morral [6], and coupled with computational thermodynamics (CALPHAD, calculation of phase diagrams) by Zimbitas and Sloof [7] and Krupp et al [8]. As another technique, the phase-field approach (PF) was applied by Wen et al [9] to model onedimensional corrosion kinetics with simplified model parameters, and by Shen et al for precipitate formation in binary Ni-Al alloys [10].…”
The cellular automata method offers a promising approach to describe diffusion and diffusion-controlled precipitation processes at high temperatures. During high temperature exposure, technical components like gas-turbine blades, furnaces, or exhaust systems, are operating in corrosive atmospheres. The resulting material-degradation processes are diffusion‐controlled, and corrosive species penetrate into the material leading to the formation of embrittling precipitates. Cellular automata (CA) represent distributed dynamical systems whose structure is particularly well suited to determine the temporal evolution of the system. In this study, it is shown that the model is able to consider diffusion, nucleation and growth aspects, interdiffusion between scales, and high diffusivity paths like grain boundaries. This has been demonstrated by applying CA to (i) nitrogen diffusion, (ii) internal intergranular oxidation of nickel-based alloy, and (iii) interdiffusion of a binary diffusion couple.
“…This method was applied to carburization, internal oxidation and internal nitridation, e.g., by Bongartz et al . Sockel and Christ , Li and Morral , and coupled to thermodynamic software by Zimbitas and Sloof (in combination with ThermoCalc) and Krupp et al (in combination with ChemApp) .…”
Aim of the study is to develop a simulation software which allows to predict the diffusion-controlled transformation processes during oxidation and nitridation of metals and alloys. Internal oxidation and nitridation often results in a deep penetration of coarse and sometimes needle-shaped precipitates that act as crack initiation sites, i.e., giving rise to an embrittlement of the surface layer. The method of cellular automata according to Chopard and Droz has been applied to simulate internal nitridation processes. The approach allows implementing, e.g., the diffusion-blocking effect of the internal precipitates, and the mechanisms of nucleation and growth. As an example, TiN formation in Ni-base alloys was simulated by treating nitrogen diffusion and precipitation separately and simultaneously. The progress of internal nitridation follows a parabolic rate law in agreement with Wagner's theory of internal oxidation and experimental results. Furthermore, the cellular automata approach is capable to predict the transition from internal precipitation to external scale formation and to implement the process of nucleation and growth of nitride and oxide precipitates.
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