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Magnetic phase diagram of the Fe-Ni system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Computational Thermodynamics.
KTH, School of Engineering Sciences (SCI), Applied Physics.
KTH, School of Engineering Sciences (SCI), Applied Physics.ORCID iD: 0000-0003-2832-3293
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Computational Thermodynamics.ORCID iD: 0000-0001-5031-919X
2011 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 59, no 2, 521-530 p.Article in journal (Refereed) Published
Abstract [en]

Magnetic phase diagrams of body-centered cubic and face-centered cubic Fe-Ni alloys were constructed using available experimental data and ab initio calculations. The results show that significant improvements in the "standard" diagrams (handbooks and CALPHAD databases) are required. The present work demonstrates that the CALPHAD magnetic model is not sophisticated enough to describe the Fe-Ni system. In addition, a new thermodynamic description of the lattice stability for pure Ni is urgently needed, since the recommended magnetic properties for CALPHAD modeling are distinct from the experimental and ab initio results. This work indicates that the construction of magnetic phase diagrams is indispensable during the phase transformation study of magnetic systems. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2011. Vol. 59, no 2, 521-530 p.
Keyword [en]
Invar alloy, Magnetic properties, Thermodynamics, Steels, Martensitic phase transformation
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-29381DOI: 10.1016/j.actamat.2010.09.055ISI: 000285486300011Scopus ID: 2-s2.0-78449258198OAI: oai:DiVA.org:kth-29381DiVA: diva2:394046
Note

QC 20110201

Available from: 2011-02-01 Created: 2011-02-01 Last updated: 2017-12-11Bibliographically approved
In thesis
1. Thermodynamic and Kinetic Investigation of the Fe-Cr-Ni System Driven by Engineering Applications
Open this publication in new window or tab >>Thermodynamic and Kinetic Investigation of the Fe-Cr-Ni System Driven by Engineering Applications
2012 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This work is a thermodynamic and kinetic study of the Fe-Cr-Ni system as the core of stainless steels. The Fe-Cr, Fe-Ni and Cr-Ni systems were studied intensively using both computational and experimental techniques, including CALPHAD (CALculation of PHAse Diagrams), phase field simulation, ab initio modeling, calorimetry, and atom probe tomography. The purpose of this thesis is to reveal the complexity of the phase transformations in the Fe-Cr-Ni system via the integrated techniques. Due to the importance of the binary Fe-Cr system, it was fully reassessed using the CALPHAD technique by incorporating an updated description of the lattice stability for Fe down to zero kelvin. The improved thermodynamic description was later adopted in a phase field simulation for studying the spinodal decomposition in a series of Fe-Cr binary alloys. Using atom probe tomography and phase field simulation, a new approach to analyze the composition amplitude of the spinodal decomposition was proposed by constructing an amplitude density spectrum. The magnetic phase diagram of the Fe-Ni system was reconstructed according to the results from both ab initio calculations and reported experiments. Based on the Inden-Hillert-Jarl magnetic model, the thermodynamic reassessment of the Fe-Ni system demonstrated the importance of magnetism in thermodynamic and kinetic investigations. Following this, the current magnetic model adopted in the CALPHAD community was further improved. Case studies were performed showing the advantages of the improved magnetic model. Additionally, the phase equilibria of the Fe-Cr-Ni ternary were discussed briefly showing the need of thermodynamic and kinetic studies at low temperatures. The “low temperature CALPHAD” concept was proposed and elucidated in this work showing the importance of low temperature thermodynamics and kinetics for designing the new generation of stainless steels.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2012. v, 63 p.
Keyword
phase transformation, magnetism, spinodal decomposition, stainless steel, low temperature CALPHAD, phase field, ab initio, atom probe tomography, calorimetry
National Category
Metallurgy and Metallic Materials
Research subject
SRA - E-Science (SeRC); SRA - Energy
Identifiers
urn:nbn:se:kth:diva-96707 (URN)978-91-7501-394-7 (ISBN)
Public defence
2012-08-28, sal B2, Brinellvägen 23, MSE, KTH, Stockholm, 10:00 (English)
Opponent
Supervisors
Projects
Hero-m
Funder
StandUpSwedish e‐Science Research Center
Note

QC 20120612

Available from: 2012-06-12 Created: 2012-06-10 Last updated: 2013-04-18Bibliographically approved

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Vitos, LeventeSelleby, Malin

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