A thermodynamic assessment of the binary Fe-Mn system for the third generation of Calphad databases

被引:30
作者
Bigdeli, Sedigheh [1 ]
Selleby, Malin [1 ]
机构
[1] KTH Royal Inst Technol, Mat Sci & Engn, SE-10044 Stockholm, Sweden
来源
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2019年 / 64卷
关键词
Fe-Mn; Calphad; Assessment; Magnetism; FCC/HCP MARTENSITIC-TRANSFORMATION; FERRITE PHASE-TRANSFORMATION; ALPHA-GAMMA EQUILIBRIUM; STACKING-FAULT ENERGY; MAGNETIC-STRUCTURES; DRIVING-FORCE; EPSILON-MARTENSITE; ENTHALPY CHANGE; SI ALLOYS; HCP PHASE;
D O I
10.1016/j.calphad.2018.11.011
中图分类号
O414.1 [热力学];
学科分类号
摘要
In developing the third generation of Calphad databases, the next step after proper description of the unaries is to assess higher-order systems, i.e. binaries, ternaries etc. A new description of the Fe-Mn system is presented in this work, based on the Calphad approach. New models with a stronger physical basis are used to model the Gibbs energy of the phases. For this purpose, the revised magnetic model is used to fit the magnetic properties versus the most recent experimental and ab-initio data. An acceptable magnetic phase diagram is reproduced, and a reasonable fit for the phase diagram is achieved which will prevent possible artefacts in higher-order systems. The description is valid down to 0 K, which make it very useful as a starting point for modelling phase transformations occurring at low temperatures.
引用
收藏
页码:185 / 195
页数:11
相关论文
共 116 条
[21]   THERMODYNAMICS OF THE GAMMA/EPSILON MARTENSITIC-TRANSFORMATION IN FE-MN ALLOYS - MODELING OF THE DRIVING-FORCE, AND CALCULATION OF THE M(S) AND A(S) TEMPERATURES [J].
COTES, S ;
BARUJ, A ;
SADE, M ;
GUILLERMET, AF .
JOURNAL DE PHYSIQUE IV, 1995, 5 (C2) :83-88
[22]   Phase stability and fcc/hcp martensitic transformation in Fe-Mn-Si alloys:: Part II.: Thermodynamic modelling of the driving forces and the Ms and As temperatures [J].
Cotes, S ;
Guillermet, AF ;
Sade, M .
JOURNAL OF ALLOYS AND COMPOUNDS, 1998, 280 (1-2) :168-177
[23]   Phase stability and fcc/hcp martensitic transformation in Fe-Mn-Si alloys -: Part I.: Experimental study and systematics of the MS and AS temperatures [J].
Cotes, S ;
Guillermet, AF ;
Sade, M .
JOURNAL OF ALLOYS AND COMPOUNDS, 1998, 278 (1-2) :231-238
[24]  
deFontaine D, 1995, CALPHAD, V19, P499
[25]   SGTE DATA FOR PURE ELEMENTS [J].
DINSDALE, AT .
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 1991, 15 (04) :317-425
[26]   Structural and magnetic ground-state properties of γ-FeMn alloys from ab initio calculations [J].
Ekholm, M. ;
Abrikosov, I. A. .
PHYSICAL REVIEW B, 2011, 84 (10)
[27]   ANTIFERROMAGNETISM OF GAMMA IRON MANGANES ALLOYS [J].
ENDOH, Y ;
ISHIKAWA, Y .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1971, 30 (06) :1614-&
[28]   BAND CALCULATIONS FOR NONCOLLINEAR SPIN ARRANGEMENTS IN GAMMA-PHASE MANGANESE-IRON ALLOYS [J].
FUJII, S ;
ISHIDA, S ;
ASANO, S .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1991, 60 (12) :4300-4310
[29]   FCC-]HCP PHASE-TRANSFORMATION IN HIGH MANGANESE-IRON ALLOYS [J].
GARTSTEIN, E ;
RABINKIN, A .
ACTA METALLURGICA, 1979, 27 (06) :1053-1064
[30]  
Gayler A. V. Marie, 1933, J IRON STEEL I, V128, P293