Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

Schmid–Fetzer, Rainer; Gröbner, Joachim

doi:10.3390/met2030377

Cited by 19 publications

(6 citation statements)

References 67 publications

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“…In the P-T phase diagram of SiC at 1 bar the single-phase region of solid SiC ends at 2823°C, beyond a gap forms, the two-phase region liquid + graphite. Calculation with the database PanMg [9] shows that a temperature of 3600°C (and pressure of at least 8 bar to avoid evaporation) is necessary to obtain singlephase liquid ''SiC'' with 50 at.% C. This 777 K wide gap, liquid + graphite, in the ''P-T phase diagram of SiC'' occurs because, technically speaking, it is a section in the P-T-x phase diagram of the binary Si-C system at constant 50 at.% C. Such phase diagram sections may exhibit phase compositions which are off the section plane as will be discussed in more detail later; they are also known as isopleths.…”

Section: H 2 O and Sicmentioning

confidence: 99%

“…[8] The intention is to assist in the proper interpretation of results obtained from such calculations, not in the operation of such calculations. In fact, all diagrams presented in this work are produced by thermodynamic calculations using the Pandat software package [5] and the quantitative thermodynamic database for Mg-alloys, PanMg, [9] unless noted differently. The examples shown are for metallic systems and related alloys, just to keep this work concise.…”

Section: Introductionmentioning

confidence: 99%

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Phase Diagrams: The Beginning of Wisdom

Schmid–Fetzer

2014

J. Phase Equilib. Diffus.

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This work presents a primer on ''How to Read and Apply Phase Diagrams'' in the current environment of powerful thermodynamic software packages. Advanced aspects in that context are also covered. It is a brief guide into using this cornerstone of knowledge in materials science and engineering and offers assistance in the proper interpretation of results obtained from stateof-the-art Calphad-type thermodynamic calculations. Starting from the very basics it explains the reading of unary, binary and ternary phase diagrams, including liquidus projections, isothermal and vertical phase diagram sections. Application examples are directly derived from these phase diagrams of Fe, Cu-Ni, Mg-Al, and Mg-Al-Zn. The use of stable and metastable phase diagrams and appropriate choices of state variables are explained for the relevant Fe-C and Fe-C-Si systems. The most useful concept of zero-phase fraction lines in phase diagram sections of multicomponent systems is made clear by coming back to the Cu-Ni and Mg-Al-Zn systems. Thermodynamic solidification simulation using the Scheil approximation in comparison to the equilibrium case is covered in context of multicomponent multiphase solidification and exemplified for Mg-Al-Zn alloys. The generic approach is directly applicable for all inorganic materials, but exemplified in this concise work for a small selection of metallic systems to highlight the interdependences among the phase diagrams. The embedded application examples for real material systems and various materials processes also emphasize the use of phase diagrams for the path from initial off-equilibrium state towards equilibrium.

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Section: H 2 O and Sicmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Phase Diagrams: The Beginning of Wisdom

Schmid–Fetzer

2014

J. Phase Equilib. Diffus.

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“…Thermodynamic calculations, including the phase diagram, solid fractions and growth restriction factors, have been carried out using the integrated software package PANDAT [27] with the PanMg database [28]. The dendrite coherency solid fraction (f s DCP ) is determined through the solid fraction at T DCP on the temperature vs solid fraction curve based on Scheil simulation.…”

Section: Thermodynamic Calculations and Growth Restriction Factors (Q Values)mentioning

confidence: 99%

Solidification of Mg–Zn–Zr Alloys: Grain Growth Restriction, Dendrite Coherency and Grain Size

Hou

Han

et al. 2020

Acta Metall. Sin. (Engl. Lett.)

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The solidification characterization of Mg-xZn-0.5Zr (x = 0, 1, 3, 4, 5 wt%) alloys has been extensively investigated through thermal analysis, microstructure characterization and thermodynamic calculations. The impact of Zn content on the grain growth restriction, dendrite coherency and thus the final grain size has been investigated and discussed. Increasing Zn content, the grain size of Mg-xZn-0.5Zr alloy was firstly refined and then coarsened with the finest grain size of ~ 50 μm for the Mg-3Zn-0.5Zr (ZK31) alloy. Significant effects of the grain size on the mechanical properties were observed in the investigated alloys. The combination of growth restriction factor theory and dendrite coherency point provides a reasonable explanation of the grain size results. It helps to further understand the mechanisms of grain refinement and grain coarsening related to solute content, providing reference for alloy design and grain size prediction.

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“…It is to note that equilibrium between Mg-Al liquid and Al4C3 is only reached above 19 wt.%Al at 727°C [10]. Despite the interest of grain refinement of Mg-Al alloys by carbon inoculation the Al-C-Mg system is not satisfactorily assessed as the carbide phase Al2MgC2 is presently not described in any thermodynamic database for Mg alloys [24,25]. Currently, the only information available related to Al2MgC2 are an isothermal section at 727°C [10] as well as the structure of the allotropic form of Al2MgC2 stable above 727°C determined by Rietveld refinement from X-ray powder diffraction data [26,27].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of Phase Formation in Mg–Al–C Alloys Applied to Grain Refinement

Deffrennes¹,

Gardiola²,

Lomello³

et al. 2018

The Minerals, Metals &Amp; Materials Series

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Grain refinement of Mg-Al based alloys is challenging because it is known that Zr, which is extremely effective in many Al-free alloys, cannot be used. The addition of carbon through various routes by using carbon-containing sources is considered as an option. The grain refinement mechanisms are still under debate. The present work is focused on the ternary base system Mg-Al-C, including the potential nucleants Al4C3 and Al2MgC2, presently without consideration of Al2CO. The ternary carbide Al2MgC2 was synthetized and characterized using sealed Ta crucibles. The decomposition of the carbide was measured at 1290°C by Differential Thermal Analysis under a pressure of 8 bar. Practical difficulties, including high vapor pressure of Mg and high affinity of Mg with oxygen, as well as rapid hydrolysis of the Al2MgC2 carbide have been overcome.

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Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

Cited by 19 publications

References 67 publications

Phase Diagrams: The Beginning of Wisdom

Phase Diagrams: The Beginning of Wisdom

Solidification of Mg–Zn–Zr Alloys: Grain Growth Restriction, Dendrite Coherency and Grain Size

Thermodynamics of Phase Formation in Mg–Al–C Alloys Applied to Grain Refinement

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