Change search
ReferencesLink to record
Permanent link

Direct link
An Effective Method to Estimate Composition Amplitude of Spinodal Decomposition for Atom Probe Tomography Validated by Phase Field Simulations
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Computational Thermodynamics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Physical Metallurgy.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Physical Metallurgy.
(English)Manuscript (preprint) (Other academic)
Abstract [en]

Reasonable evaluation of composition amplitude in spinodal decomposition is a challenge to microanalysis of atom probe tomography, especially at early stages when phase separation is not prominent. This impedes quantitative analysis of spinodal structure in atom probe tomography as well as comparison with simulated results from phase field simulations. We hereby report an effective method to estimate the composition amplitude by constructing an amplitude density spectrum. This method can sensitively determine the composition amplitude at early stages. In particular, it substantially bridges experimental and simulation techniques comprising both discrete and continuum data in the study of spinodal decomposition. Moreover, it was found that the commonly adopted Langer-Bar-on-Miller method for atom probe analysis underestimates the composition amplitude of spinodal decomposition. Case studies have been performed on the Fe-Cr binary alloys.

National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-96789OAI: diva2:532686
QS 2012Available from: 2012-06-12 Created: 2012-06-12 Last updated: 2012-06-12Bibliographically 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.
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
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)
StandUpSwedish e‐Science Research Center

QC 20120612

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

Open Access in DiVA

No full text

Other links


Search in DiVA

By author/editor
Xiong, WeiÅgren, JohnZhou, Jing
By organisation
Computational ThermodynamicsPhysical Metallurgy
Materials Engineering

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 93 hits
ReferencesLink to record
Permanent link

Direct link