Thermodynamic assessment of the Fe-Mn-C system

被引:82
作者
Djurovic, Dejan [1 ]
Hallstedt, Bengt
von Appen, Jorg [1 ]
Dronskowski, Richard [1 ]
机构
[1] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany
来源
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2011年 / 35卷 / 04期
关键词
Fe-Mn-C ternary system; Phase diagram; Thermodynamic modelling; CALPHAD; COMPOUND ENERGY FORMALISM; AUGMENTED-WAVE METHOD; PHASE-DIAGRAM; SI-C; MARTENSITIC-TRANSFORMATION; ISOTHERMAL SECTIONS; MAGNETIC-PROPERTIES; POWDER DIFFRACTION; ALLOYING ELEMENTS; MANGANESE;
D O I
10.1016/j.calphad.2011.08.002
中图分类号
O414.1 [热力学];
学科分类号
摘要
The Fe-Mn-C ternary system has been thermodynamically evaluated using the CALPHAD method. Published data on thermochemical properties and phase equilibria have been critically examined and used to optimise the model parameters. The Fe-Mn-C system has been evaluated previously by Huang [W. Huang, Metall. Trans. A 21A (1990) 2115-2123]. In comparison to that evaluation, experimental liquidus data are now considerably better described and carbide equilibria at low temperatures are also more reasonable now. The differences in equilibria involving the gamma (austenite), alpha (ferrite), epsilon (hcp) and M3C (cementite) phases are very small. The improvement of carbide equilibria was possible by doing ab initio calculations of the enthalpies of formation of the metastable Fe3C, Fe23C6, Fe5C2 and Fe7C3 carbides. Calculations using the presently developed thermodynamic description are extensively compared with experimental data. (C) 2011 Elsevier Ltd. All rights reserved.
引用
收藏
页码:479 / 491
页数:13
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