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Thermodynamic assessment of Cr–Nb–C and Mn–Nb–C systems AITranslate

RWTH Aachen University;RWTH Aachen University;RWTH Aachen University
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Publisher: Elsevier
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Abstract AITranslate

In the present work, an attempt to provide thermodynamic descriptions for the Cr–Nb–C and Mn–Nb–C systems was made. Various descriptions for most of the binary systems had been already available, so a selection between parameters sets was made. An additional partial reassessment was needed for the Cr–C system for the better correspondence with recent experimental data for the liquidus. To describe solubility of Nb in manganese and chromium carbides enthalpies of formation for hypothetical end members were calculated using ab initio methods. The thermodynamic descriptions of ternary systems were extrapolated from corresponding binary systems and optimized taking into account existing experimental data for the ternary systems. Highlights ▸ Enthalpies of formation for hypothetical Nb carbides were studied by ab intio methods. ▸ Parameters for the liquid phase in the Cr–C binary system were reoptimized. ▸ Assessments for Cr–Nb–C and Mn–Nb–C systems were made for the first time.

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DOI:https://doi.org/10.1016/j.calphad.2012.09.002

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Citation Information:

In the present work, an attempt to provide thermodynamic descriptions for the Cr–Nb–C and Mn–Nb–C systems was made. Various descriptions for most of the binary systems had been already available, so a selection between parameters sets was made. An additional partial reassessment was needed for the Cr–C system for the better correspondence with recent experimental data for the liquidus. To describe solubility of Nb in manganese and chromium carbides enthalpies of formation for hypothetical end members were calculated using ab initio methods. The thermodynamic descriptions of ternary systems were extrapolated from corresponding binary systems and optimized taking into account existing experimental data for the ternary systems. Highlights ▸ Enthalpies of formation for hypothetical Nb carbides were studied by ab intio methods. ▸ Parameters for the liquid phase in the Cr–C binary system were reoptimized. ▸ Assessments for Cr–Nb–C and Mn–Nb–C systems were made for the first time.

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GB/T 7714-2015 [1] A.V. Khvan, B. Hallstedt, K. Chang. Calphad, 2012(39). DOI:10.1016/j.calphad.2012.09.002.
MLA [1] A.V. Khvan, et al., Calphad, no. 39, 2012, https://doi.org/10.1016/j.calphad.2012.09.002.
APA [1] A.V. Khvan, B. Hallstedt, & K. Chang. (2012). Calphad(39). https://doi.org/10.1016/j.calphad.2012.09.002
IEEE [1] A.V. Khvan, B. Hallstedt, and K. Chang, Calphad, no. 39, 2012, doi: 10.1016/j.calphad.2012.09.002.