Authors: Ulrich Krupp, Katrin Jahns, Kamil Balinski, Jürgen Wübbelmann
Abstract: 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.
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Authors: Bengü Tas Kavakbasi, Igor S. Golovin, Aloke Paul, Sergiy V. Divinski
Abstract: Diffusion couple technique is an efficient tool for the estimating the chemical diffusion coefficients. Typical experimental uncertainties of the composition profile measurements complicate a correct determination of the interdiffusion coefficients via the standard Boltzmann-Matano, Sauer-Freise or the den Broeder methods, especially for systems with a strong compositional dependence of the interdiffusion coefficient. A new approach for reliable fitting of the experimental profiles with an improved behavior at both ends of the diffusion couple is proposed and tested against the experimental data on chemical diffusion in the system Fe-Ga. An extension of the approach for reliable description of the up-hill diffusion phenomenon in multicomponent systems is presented.
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Authors: Wei Min Chen, Li Jun Zhang
Abstract: In this report, a combination of the diffusion multiple technique and the recently developed numerical inverse method was employed for a high–throughput determination of interdiffusivity matrices in Ni–Al–Cr alloys. A face–centered cubic (fcc) quinary Ni–Al–Cr diffusion multiple at 1173 K was carefully prepared by means of the hot–pressing technique. Based on the composition profiles measured by the field emission electron probe micro analysis (FE–EPMA), the composition–dependent interdiffusivity matrices in ternary Ni–rich Ni–Al–Cr system at 1173 K were then efficiently determined using the numerical inverse method.
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Authors: Kaustubh N. Kulkarni
Abstract: Both FeAl and NiAl with B2 crystal structure are envisaged for their usage in high temperature applications and hence, availability of diffusion data in these intermetallics is crucial in designing their alloys and processes as well as deciding their in-service performance. A comprehensive overview of diffusion data available in B2 FeAl and NiAl and their alloys is provided in this article. Nearest neighbor vacancy jumps in B2 intermetallic lead to a local disorder in the lattice and hence it is not necessarily the unit step of diffusion in these structures. Several mechanisms of diffusion proposed in the literature are discussed including nearest neighbor jumps, next nearest neighbor jumps, six-jump vacancy cycle, triple defect and antisite bridge. Relevance of these mechanisms in FeAl and NiAl is discussed. An overview is given on the self-and solute diffusion and interdiffusion data available in both binary FeAl and NiAl. Due to wide solubility range of both FeAl and NiAl as well as their alloying requirements for improved properties, it becomes pertinent to study the multicomponent diffusion in the alloys based on these B2 itnermetallics. Hence, in the latter part of the article, various methods used for determining multicomponent diffusion data are reviewed. A detail overview is also provided on the diffusion studies available in literature on ternary alloys based on FeAl and NiAl with an emphasis on highlighting the diffusional interactions observed in these systems.
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Authors: Alexander Kodentsov
Abstract: A critical review of interdiffusion processes in the binary β-NiAl and γ'-Ni3Al intermetallic compounds is presented. The molar volume changes associated with interdiffusion and partial molar volumes of the reacting species, required for the determination of the diffusion parameters, are found using lattice parameter data and, in the case of NiAl, the available information about vacancy concentration within homogeneity range of the β-phase. The presented treatment is purely phenomenological, and its use is convenient since no exlicit assumption of the underlying mechanisms required. A critical analysis of diffusion data for β-NiAl and γ'-Ni3Al ordered phases is followed by discussion of error sources encountered in the interdiffusion experiments. From Kirkendall marker experiments with incremental diffusion couples, information about relative mobilities of species in the intermetallic phases can be obtained, and tracer diffusion coefficients can be deduced using pertinent thermodynamic data on the nickel aluminides. Contribution of the vacancy wind effect to the calculated tracer diffusivities can also be estimated. The Kirkendall plane bifurcation in the Ni41.7Al58.3/Ni72.24Al27.76 reaction couple, in which a single-phased layer of β-NiAl intermatallic is formed during interdiffusion from its adjacent phases, is directly related to the growth of grains of the reaction product at a location in between interfaces with starting materials. This diffusion phenomenon can be rationallised using a corresponding Kirkendall velocity diagram. Changes in magnitude and sign of the difference in intrinsic mobilities of the components inside the homogeneity range of the β-NiAl lead to a velocity curve that makes bifurcation of the Kirkendall marker plane possible.
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Authors: Li Jun Zhang, Juan Chen, Wei Min Chen, Na Ta, Qin Li
Abstract: Advanced modern gas-turbine engines strongly rely on high-temperature thermal barrier coatings (TBCs) for the improved efficiency and power. Interdiffusion between the bond coat and the underlying Ni-based superalloy is one key factor limiting the lifetime of TBCs. In order to assist the engineering-oriented lifetime assessment and even design new TBCs, reliable composition- and temperature-dependent interdiffusivity databanks for γ, γ′ and β phases in different types of bond coats and Ni-based superalloys are the prerequisite. This chapter starts from a very brief introduction of the state-of-art experimental techniques and calculation methods for interdiffusivity determination in ternary systems. After that, the status of the interdiffusion databanks of γ, γ′ and β phases in NiAl-based ternary systems is then summarized, with a special focus on the demonstration of interdiffusivity data measured by means of single-phase diffusion couple/multiple techniques in combination with Matano-Kirkaldy method or numerical inverse method. Several typical results for NiAl-based γ, γ′ and β phases are also given. Finally, two examples of successful applications of the available interdiffusion databanks of ternary NiAl-based γ, γ′ and β phases are presented. One lies in the Re-substitutional element searching in potential new-generation Ni-based superalloys, while the other is the phase-field modeling of interdiffusion microstructure in ternary mode NiAlCr-based TBCs without/with the effect of temperature gradient.
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Authors: Katarzyna Tkacz-Śmiech, Bogusław Bożek, Lucjan Sapa, Marek Danielewski
Abstract: This works presents new approach to model formation of expanded austenite (S-phase) during nitriding in plasma conditions. Diffusion saturation of the substrate (iron or austenite steel) is treated as interdiffusion of nitrogen and iron that involves stresses and plastic deformation and is based on the Darken scheme.
It is argued that S-phase growing at nitriding behaves as elasto-viscous Maxwell solid. During the process, in the nitride zone, the dynamic pressure appears, which is related to Darken drift and depends on metal viscosity. Basic equations are formulated and discussed. The formula for drift is derived. Exemplary results, i.e. concentration profiles, dynamic pressure and dilatation of the sample during the process, are presented. Concentration profiles confirm existence of characteristic plateau like zone in the surface adjacent zone.
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Authors: Katarzyna Tkacz-Śmiech, Bartek Wierzba, Bogdan Bożek, Marek Danielewski
Abstract: Low-temperature nitriding of austenitic stainless steels or chromium containing alloys can produce expanded austenite, known as S-phase, with combined improvement in wear and corrosion resistance. In the paper a critical review of various models for nitrogen diffusion during nitriding is presented. A special attention is paid to the expanded austenite growth. A new model based on bi-velocity method and including stresses is presented. Basic equations and boundary conditions are discussed. Composition dependent nitrogen diffusion coefficient is assumed. Numerical solutions are obtained for the growth of the S-phase layer in steel. The results are compared with previous experiment and calculations.
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Authors: Marco Mulser, Frank Petzoldt
Abstract: Two-component metal injection moulding (2C-MIM) allows producing functionally graded metal parts of complex shape by co-sintering. Until now several studies have demonstrated that different material properties can be combined. Another promising material combination is titanium and iron-based materials. It can combine the biocompatibility and low density of titanium with a ductile and cost efficient stainless steel. However, co-sintering these materials reveals challenges due to a significant mismatch in sintering shrinkage and limitations in sintering temperature for both materials. The recent study showed that Ti-6Al-4V can be joined to the stainless steel 316L by 2C-MIM provided that certain constraints are taken in account. The quality of the interface before and after co-sintering is a crucial factor for intact parts after processing. By applying sinterdilatometry the mismatch in shrinkage was compensated by using adjusted powder characteristics and tailored feedstock compositions. A co-sintering cycle was defined with regard to the sintering characteristics of both materials. The developed two-component specimens revealed significant interdiffusion of alloying elements at the Ti-6Al-4V / 316L interface and a tensile strength of 282 MPa after co-sintering.
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Authors: Marek Zajusz, Bogdan Bożek, Katarzyna Tkacz-Śmiech, K. Berent, Marek Danielewski
Abstract: Interdiffusion in two-phase Ni-Cr-Al diffusion couple was studied experimentally and simulated numerically. The diffusion multiples were prepared by hot isostatic pressing, HIP and post-annealing at 1200°C. The concentration profiles were measured with wide line EDS technique – a method suitable to study multiphases. Hence the diffusion paths were determined. The experimental profiles and diffusion paths were compared with numerical results simulated with application of the Darken bi-velocity method implemented to describe interdiffusion in a two-phase zone.
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