A Calphad assessment of Al-C-Fe system with the κ carbide modelled as an ordered form of the fcc phase

被引：54

作者：

Connetable, Damien ^{[1
]}

Lacaze, Jacques ^{[1
]}

Maugis, Philippe ^{[2
]}

Sundman, Bo ^{[1
]}

机构：

[1] UPS INPT CNRS ENSIACET, CIRIMAT, F-31077 Toulouse, France

[2] Arcelor Res SA, F-57283 Maizieres Les Metz, France

来源：

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2008年 / 32卷 / 02期

关键词：

computational thermodynamics; ab initio; alloys; phase diagram; Al-C-Fe;

D O I：

10.1016/j.calphad.2008.01.002

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

As part of an extensive Study devoted to the development of new high-Al steels, a CALPHAD-type assessment of the Al-Fe-C system has been carried out. In place of the Usual cementite, these steels show precipitation of the so-called K carbide that is an ordered form of austenite. Inconsistencies between the scarce experimental information in the Al-Fe-C system and extrapolations from the available Al-Fe and Al-C descriptions made it necessary to revise them. This has been done in part by using new ob initio calculations as well as phase diagram data. The K carbide has been described as all ordered form of the fcc phase, with its Gibbs energy calculated as the SUM of a disordered and all ordered contribution. The additional parameters needed to express the ordered part were evaluated using phase equilibria information and new ab initio data related to the K carbide. With this approach, addition of new alloying elements, like Mn or Ni, for extrapolation to higher-order systems should be straightforward. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：361 / 370

页数：10

共 38 条

[1] A description of the effect of short range ordering in the compound energy formalism
Abe, T
Sundman, B
[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2003, 27 (04): : 403 - 408
[2] ANDERKO K, 1969, CONSTITUTION BINARY, V2
[3] Baker E. W., 1986, BIOL MARKERS SEDIMEN, V24, P125
[4] IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS
BLOCHL, PE
JEPSEN, O
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1994, 49 (23): : 16223 - 16233
[5] CONNETABLE D, UNPUB
[6] CRUSSARD C, 1949, REV MET, V46, P661
[7] SGTE DATA FOR PURE ELEMENTS
DINSDALE, AT
[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 1991, 15 (04): : 317 - 425
[8] Thermodynamic re-assessment of the ternary system Al-Cr-Ni.
Dupin, N
Ansara, I
Sundman, B
[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2001, 25 (02): : 279 - 298
[9] EDGAR IK, 1948, T AIME, V180, P225
[10] Thermodynamic calculation of the ternary system Al-Si-C
Grobner, J
Lukas, HL
Aldinger, F
[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 1996, 20 (02): : 247 - 254

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