Critical assessment and thermodynamic modeling of the Al–C system

Deffrennes, Guillaume; Gardiola, B.; Allam, Mahmoud; Chaussende, Didier; Pisch, A.; Andrieux, J.; Schmid–Fetzer, Rainer; Dezellus, Olivier

doi:10.1016/j.calphad.2019.101648

Cited by 9 publications

(7 citation statements)

References 47 publications

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“…The known stable solid phases of the Al-C-Mg system are listed in Table 1. Data are given according to references [3,39,[41][42][43][44][45][46][47][48][49][50][51][52][53]. At T=298 K and 0 at.% Mg, single-crystal XRD [47] Up to approx.…”

Section: Assessment Of Literature Data 21 Solid Phasesmentioning

confidence: 99%

“…The data regarding the Al-C binary system were recently reviewed by Deffrennes et al [39] who pointed out significant discrepancies in the literature results on phase equilibria and on the standard enthalpy of formation of Al4C3. Then, a thermodynamic description was proposed by the authors [39] on the basis of this critical selection of literature data along with some new measurements and DFT calculations.…”

Section: The Al-c Binary Systemmentioning

confidence: 99%

“…The Gibbs energies of the pure elements were taken from the SGTE database [63]. Regarding the binaries, the C-Mg system was taken from Chen et al [56], Al-Mg from the COST507 database [55] and Al-C from the recent revision proposed by the Deffrennes et al [39]. All calculations were performed using both software packages Pandat [64] and Thermocalc [65], and the results were checked for agreement.…”

Section: Thermodynamic Modeling and Optimisation Proceduresmentioning

confidence: 99%

“…In the scope of the thermodynamic modeling of the Al-C-Mg system, experimental investigations coupled with DFT calculations on the thermodynamic properties of Al4C3 [1] and Al2MgC2 [2] were recently performed. Notably, the thermodynamic description of the Al-C system was revised [39] as conflicting results could be found regarding the enthalpy of formation of Al4C3 [1] and phase equilibria [39].…”

Section: Introductionmentioning

confidence: 99%

“…In order to model the solubility of Mg in Al4C3, the standard enthalpy of formation of potential end-members phases is calculated by DFT. Based on those results and on recent work [2] as well as on the revised description of the Al-C binary [39], the Al-C-Mg system is modeled, and descriptions for Al2MgC2 and for the solubility of Mg in Al4C3 are proposed for the first time. Finally, thermodynamic calculations are performed to contribute to the grain refinement debate of Mg-Al alloys by carbon inoculation.…”

Section: Introductionmentioning

confidence: 99%

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Thermal stability of Al2MgC2 and thermodynamic modeling of the Al–C–Mg system - Application to grain refinement of Mg–Al alloys

Deffrennes

Gardiola

Lomello-Tafin

et al. 2019

Calphad

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In the scope of supporting the development of Mg-Al alloys and related materials, an experimental study coupled with a CALPHAD thermodynamic modeling of the Al-C-Mg system was conducted. The peritectic decomposition of Al2MgC2 to form Al4C3, graphite and a liquid phase was measured at 1559±10 K by DTA. In order to model the Mg solubility in Al4C3, DFT calculations were performed on the end-member phases Mg4C3, Al2Mg2C3 and Mg2Al2C3 and it was shown that Mg substitutes on the Al2 crystallographic site of the carbide structure. Based on recent literature data and a revised Al-C binary, a model description of the Al-C-Mg ternary is proposed for the first time. More specifically, it is used to calculate the liquidus projection and the phase formation sequence during Scheil solidification of a 91Mg-9Al wt% alloy inoculated with carbon. This work provides a convincing argument that Al2MgC2 is the nucleant responsible for the grain refinement of Mg-Al alloys inoculated by C.

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