Simulation of the kinetics of precipitation reactions in ferritic steels

Schneider, A.; Inden, Gerhard

doi:10.1016/j.actamat.2004.10.008

Cited by 108 publications

(65 citation statements)

References 12 publications

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“…The various lines represent iso-activity curves in ferrite corresponding to the carbon activity of the carbides (M 3 C, M 7 C 3 , M 23 C 6 ) with the same Cr/Fe ratio in the alloy. This consideration is useful with respect to the discussion of the phase transformation kinetics (see [18]). Figure 11.…”

Section: Kineticsmentioning

confidence: 99%

“…The local equilibrium at the moving phase interfaces a/M 7 C 3 and also a/M 23 C 6 changes continuously [18]. Figure 13.…”

Section: Kineticsmentioning

confidence: 99%

“…(a) Calculated isothermal section of the Fe-Cr-C phase diagram at 800°C. The various points represent model alloys used for the simulations reported in [18]. (b) Blowing-up of the diagram in a) showing the metastable extensions of the various phase boundaries.…”

Section: Kineticsmentioning

confidence: 99%

“…These lines will give a hint of driving forces towards Inden et al [13][14][15][16][17]. The fundamental concepts and model assumptions for this work are described in [18][19].…”

Section: Kineticsmentioning

confidence: 99%

“…Figure 11. Two-cell simulation of competitive growth of stable M 23 C 6 and metastable M 7 C 3 in Fe-12Cr-0.1C at 800°C [18]. Tecnol.…”

Section: Kineticsmentioning

confidence: 99%

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Application of the Calphad Method for Ferritic Boiler Steels

Schneider¹

2016

TMM

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Some applications of the CALPHAD method are shown with reference to seamless tubes and pipes for high-temperature service in power plants. The focus is on concepts on the improvement of creep strength. In view of developing or improving steels for the application in conventional power plants, various elements have been tested with respect to a controlled precipitation of chromium carbides, carbonitrides and the intermetallic Laves phase.The kinetic simulations are focussed on diffusion-controlled transformations during heat-treatment and application in the power plant. A key-issue is to include important aspects such as nucleation density (in terms of pre-defined cell sizes of the model), growth, and dissolution of precipitates. Keywords: Steel; CALPHAD; Boiler; Diffusion simulation; Microstructure. APLICAÇÃO DO MÉTODO CALPHAD A AÇOS FERRÍTICOS PARA CALDEIRAS ResumoAlgumas aplicações do método CALPHAD a tubulações para aplicação a alta temperatura em plantas termoelétricas de alta temperatura são apresentadas. O trabalho é focalizado no desenvolvimento de concepções que resultem em aumento da resistência a fluência. Visando desenvolver e aprimorar aços para a aplicação em usinas térmicas convencionais vários elementos de liga foram investigados com vistas a precipitação controlada de carbonetos de cromo, carbonitretos e a fase intermetálica de Laves. As simulações cinéticas são focadas em transformações controladas por difusão que ocorrem durante o tratamento térmico e durante a aplicação do aço nas usinas. Um ponto chave é a inclusão de aspectos importantes como a densidade de núcleos (expressa como um tamanho de célula pré-definido no modelo), o crescimento e a dissolução dos precipitados. Palavras-chave: Aço; CALPHAD; Caldeiras; Simulação de difusão; Microestrutura.

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Section: Kineticsmentioning

confidence: 99%

“…The local equilibrium at the moving phase interfaces a/M 7 C 3 and also a/M 23 C 6 changes continuously [18]. Figure 13.…”

Section: Kineticsmentioning

confidence: 99%

Section: Kineticsmentioning

confidence: 99%

“…These lines will give a hint of driving forces towards Inden et al [13][14][15][16][17]. The fundamental concepts and model assumptions for this work are described in [18][19].…”

Section: Kineticsmentioning

confidence: 99%

“…Figure 11. Two-cell simulation of competitive growth of stable M 23 C 6 and metastable M 7 C 3 in Fe-12Cr-0.1C at 800°C [18]. Tecnol.…”

Section: Kineticsmentioning

confidence: 99%

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Application of the Calphad Method for Ferritic Boiler Steels

Schneider¹

2016

TMM

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Importance of Interfacial Energy in Precipitation Modeling Using Computational Thermodynamics Techniques

Silva¹

2015

TMS2015 Supplemental Proceedings

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Computational Thermodynamics: Recent developments and future potential and prospects

Hickel

Kattner

Fries

2014

Physica Status Solidi (b)

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1 Motivation Modern technology is often closely connected to the computer-based development of novel, tailor-made alloys with complex composition and competing structural phases. State-of-the-art goals for material scientists are, for example, the adaptive change of crystal structures under mechanical load, the stabilization and size control of precipitates, and the development of alloys with special magnetic, thermal or electrical properties. In most of these cases, knowledge of temperature dependent phase stabilities and the evolution of thermodynamic quantities during phase transformations is required. Therefore, thermodynamic computer simulations, along with extensive materials databases, are becoming increasingly important for scientists and materials producers.The accuracy of thermodynamic predictions is a key issue for computational development of new alloys. The reliability of the thermodynamic databases, therefore, needs to be of the highest possible level. Since all materials are built from the elements in the periodic table, it is evident that a detailed understanding of unaries is required for subsequent accurate modelling of multi-component systems. In order to work systematically towards new and improved materials, it is critical that different research and development activities use the same set of recommended data for these unaries, so that the results can be meaningfully compared. For the desired generalization to multi-component systems, it is additionally important that all unaries are described in a comparable way, i.e., using a similar set of functions.2 CALPHAD method An example of the success of such a strategy is documented by the SGTE (Scientifi c Group Thermodata Europe) unary database, which is part of the CALPHAD (CALculation of PHAse Diagrams) method [1] for anticipating the properties of stable and metastable phase equilibria in multi-component systems. The underlying concept is that of "lattice stabilities'', which has been introduced by Kaufman [2] and which was originally mostly applied to relative stabilities, enthalpy and entropy of transformation. In an empirical fashion mathematical models are employed to describe these properties mainly in terms of polynomials as function of temperature, pressure and for multi-component systems also as function of composition. The parameters of these models for systems with usually less than four components are determined using available experimental data. For the description of a multi-component system the mathematical models of the unaries, binaries and ternaries are combined into databases and the results from Gibbs energy minimisation calculations obtained from such a database are then validated by comparison with experimental data of systems with more than three components.The CALPHAD method is currently the only method that can be used effi ciently with the required accuracy for practical applications in multi-component and multi-phase systems. As a consequenc, the method has become an everyday tool in many industries, including some ...

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Simulation of the kinetics of precipitation reactions in ferritic steels

Cited by 108 publications

References 12 publications

Application of the Calphad Method for Ferritic Boiler Steels

Application of the Calphad Method for Ferritic Boiler Steels

Importance of Interfacial Energy in Precipitation Modeling Using Computational Thermodynamics Techniques

Computational Thermodynamics: Recent developments and future potential and prospects

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