Calorimetric measurement of the intermetallic compounds Cr3Ga and CrGa4 and thermodynamic assessment of the (Cr–Ga) system

Belgacem‐Bouzida, A.; Djaballah, Y.; Notin, M.

doi:10.1016/j.jallcom.2005.01.026

Cited by 18 publications

(10 citation statements)

References 12 publications

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“…The optimization was carried out by using our computer program [20], [21]. Each piece of the selected information was given a certain weight by personal judgment, and changed by trial and error during the assessment, until most of the selected experimental information was reproduced within the expected uncertainty limits.…”

Section: Assessment Proceduresmentioning

confidence: 99%

First-Principles Calculations and Thermodynamic Assessment of the Li-Rh and Tl-Tm Systems

Djaballah¹,

Amer²,

Uğur³

et al. 2015

IJMMM

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Abstract-Thermodynamic modeling of the Li-Rh and Tl-Tm systems was carried out via a hybrid approach of CALPHAD (CALculation of PHAse Diagrams) and first-principles calculations. The enthalpies of formation of LiRh, LiRh 3 , Tl 3 Tm, TlTm and Tl 3 Tm 5 are computed via first-principles calculations by using the VASP code. The CALPHAD assessment of Li-Rh and Tl-Tm systems was then performed by considering both the first-principles computed enthalpies of formation and the experimental phase equilibrium data. The liquid phase was modeled with Redlich-Kister polynomial and the five intermetallics compounds were described as stoichiometric compounds. A consistent thermodynamic data set and phase diagrams for the Li-Rh and Tl-Tm systems are obtained.

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Section: Assessment Proceduresmentioning

confidence: 99%

First-Principles Calculations and Thermodynamic Assessment of the Li-Rh and Tl-Tm Systems

Djaballah¹,

Amer²,

Uğur³

et al. 2015

IJMMM

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“…The thermodynamic optimization of the Gibbs energy parameters is an application of the CALPHAD technique [15], with a computer program developed by Djaballah [16,17]. This program is able to take various types of thermodynamic data and phase diagram information in one operation and tries to minimize error sum, where each piece of information used is given a certain weight according to the experimental range of accuracy associated with this datum.…”

Section: Assessment Proceduresmentioning

confidence: 99%

Thermodynamic assessment of the calcium–germanium system

Djaballah¹,

Pasturel²,

Belgacem‐Bouzida³

2010

Journal of Alloys and Compounds

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“…(see, e.g., Refs. [12][13][14].). For this work, we synthesized single A2 and B2 phases that we initiated by determining the composition of each phase in a binary mixture of the phases in the alloy Al 2.75 CoCrFeNi.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of A2 and B2 Phases in AlxCoCrFeNi Multi-component System

Aizenshtein

Hayun

2020

Metallogr. Microstruct. Anal.

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The two phases of the Al x CoCrFeNi multi-component system, A2 (Im3m, bcc) and B2 (Pm3m, primitive) do not appear as single phases in the entire range studied to date (0 < x < 3). To measure the thermochemical properties of alloys and improve the accuracy of thermodynamic models, single phases need to be synthesized and characterized. Toward this end, we first study the mixture of A2 and B2 phases in the Al 2.75 CoCrFeNi multi-component alloy. After determining the composition of each phase, we attempted to synthesis each individual phase. The "B2" alloy is rich in Al, Ni, and Co and consists of a single primitive structure with a nonuniform composition. The "A2" alloy is a Cr-and Fe-rich alloy of compositional uniformity on the microscale, but that phase separates on the nanoscale into Al-Ni-Co-rich, nanometer-sized B2 precipitates in an A2 matrix rich in Cr and Fe. This result reveals the profound impact of Al on the stabilization of the B2 phase in the Al x CoCrFeNi system. Although the B2 alloy is adequate for thermochemical study, further efforts are required to synthesize an A2 alloy. In this case, the Al content should be less than 10 at.% and the Ni content should be about 1 at.%. These low contents of Al and Ni should prevent the formation of stable "Al-Ni-like" B2 ordered intermetallics.

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Calorimetric measurement of the intermetallic compounds Cr3Ga and CrGa4 and thermodynamic assessment of the (Cr–Ga) system

Cited by 18 publications

References 12 publications

First-Principles Calculations and Thermodynamic Assessment of the Li-Rh and Tl-Tm Systems

First-Principles Calculations and Thermodynamic Assessment of the Li-Rh and Tl-Tm Systems

Thermodynamic assessment of the calcium–germanium system

Synthesis of A2 and B2 Phases in AlxCoCrFeNi Multi-component System

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