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Thermodynamic assessment of the Al-C-Fe system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Shanghai University, China.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Hunan University, China.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0001-5031-919X
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2017 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 58, p. 34-49Article in journal (Refereed) Published
Abstract [en]

The Al-C-Fe system was assessed in the framework of the CALPHAD approach. Through the critical review of thermochemical properties of liquid Al-Fe alloys, the binary Al-Fe description was revised to agree better with the experimental data. The partitioning model based on the Compound Energy Formalism (CEF) was utilized to describe the disordered and ordered bcc, fcc and κ phases. Moreover, ab initio calculations were performed to determine the enthalpies of formation of the ordered structures based on the bcc and fcc lattices in the binary Al-Fe and for the end-members of the κ phase in the ternary Al-C-Fe system. In order to simplify the database, the present work also employed a two-sublattice model to describe the B2 ordered phase in the Al-Fe system, which can be applied easily to diffusion simulations. Comprehensive comparison between the model-predicted and experimental data confirms that the present evaluation describe the Al-C-Fe system satisfactorily, especially the κ phase.

Place, publisher, year, edition, pages
Elsevier, 2017. Vol. 58, p. 34-49
Keywords [en]
Ab initio, Al-C-Fe, Al-Fe, CALPHAD, Partitioning model, κ carbide
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-209500DOI: 10.1016/j.calphad.2017.05.003ISI: 000410869300005Scopus ID: 2-s2.0-85019406320OAI: oai:DiVA.org:kth-209500DiVA, id: diva2:1113010
Note

QC 20170621

Available from: 2017-06-21 Created: 2017-06-21 Last updated: 2018-05-24Bibliographically approved
In thesis
1. Thermodynamic and kinetic investigation of systems related to lightweight steels
Open this publication in new window or tab >>Thermodynamic and kinetic investigation of systems related to lightweight steels
2018 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Lightweight steels have attracted considerable interest for automobile applications due to the weight reduction without loss of high strength and with retained excellent plasticity. In austenitic Fe-Mn-Al-C steels, the nano-precipitation of the κ-carbide within the austenitic matrix significantly contributes to the increase in yield strength. In the present work, the precipitation strengthening simulation has been carried out within the framework of the ICME approach. Thermodynamic assessments of the quaternary Fe-Mn-Al-C system as well as its sub-ternary systems were performed with the CALPHAD method. All available information on phase equilibria and thermochemical properties were critically evaluated and used to optimize the thermodynamic model parameters. By means of the partitioning model, the κ-carbide was described using a five-sublattice model (four substitutional and one interstitial sublattice), which can reflect the ordering between metallic elements and reproduce the wide homogeneity range of the κ-carbide. Based on the present thermodynamic description, a thermodynamic database for lightweight steels was created. Using the database, the phase equilibria evolution in lightweight steels can be satisfactorily predicted, as well as the partition of alloying elements. In order to accelerate the development of a kinetic database for multicomponent systems, a high-throughput optimization method was adopted to optimize the diffusion mobilities. This method may largely reduce the necessary diffusion-couple experiments in multicomponent systems. Based on the developed thermodynamic and kinetic databases for lightweight steels, the precipitation of the κ-carbide was simulated using TC-PRISMA. The volume fraction and particle size were reasonably reproduced. Finally, the precipitation strengthening contribution to the yield strength was predicted. The calculation results show that the anti-phase boundary effect is predominant in the precipitation strengthening. Overall, the relationship between the composition, processing parameters, microstructure and mechanical properties are established in the thesis.

Place, publisher, year, edition, pages
KTH Royal Institute of Technology, 2018. p. 74
Series
TRITA-ITM-AVL ; 2018:34
Keywords
Fe-Mn-Al-C, CALPHAD, MGI, ICME, Precipitation strengthening, Lightweight steels.
National Category
Materials Engineering
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-228401 (URN)978-91-7729-840-3 (ISBN)
Public defence
2018-09-21, rum 4301, Brinellvägen 8, Stockholm, 10:00 (English)
Opponent
Supervisors
Note

QC 20180524

Available from: 2018-05-24 Created: 2018-05-23 Last updated: 2018-05-24Bibliographically approved

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