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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Award Symposium: Alloy Phase Chemistry at the Atomic Level - Opportunities and Challenges
Presentation Title Atomistic Modelling of Carbon Redistribution in Martensite Phase
Author(s) Helena Zapolsky, Mykola Lavrskyi, Armen Khachaturyan, Frederic Danoix, Renaud Patte, Sophie Cazottes, Mohamed Gouné, Philippe Maugis
On-Site Speaker (Planned) Helena Zapolsky
Abstract Scope Among various forms of steels, martensite obtained by quenching of the fcc austenite is the one with the highest strength. However, iron carbon martensite is not stable at room temperature and forms compositional modulations during aging. Although the morphology of this modulated microstructure was a subject of extensive experimental study the inter structure of the carbon-rich zones remains an open question. In this study we employ the Atomic Density Function theory (ADF) to model the low temperature kinetics of carbon redistribution in Fe-C system. In this model the elastic interaction between carbon atoms was taking into account. Our simulation results show that during growth the carbon-rich zones, after reaching the concentration around 11at% of carbon, undergo the inverse martensite transition from the bcc to the fcc phase. The employed atomistic approach makes possible the direct comparison of simulation results with experimental data obtained by Atom Probe Tomography.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A New Look at Steel Martensite Tempering with Advanced Characterization Tools
Advanced FIM and APT Techniques at the University of Oxford
Advanced Microstructural and Chemical Characterization of Nano-scale NiMnSi Precipitates Formed in Irradiated Reactor Pressure Vessel Steels Using Atom Probe Tomography and Scanning Transmission Electron Microscopy
Arranging Atoms for Fun and Profit: A Tale of Two Smiths
Atomic-scale Analytical Tomography
Atomic Scale Modeling of Phase Separation in Fe-Cr Alloys
Atomistic Modelling of Carbon Redistribution in Martensite Phase
Combining Small Angle Scattering, Atom Probe Tomography and Differential Calorimetry for a Better Characterization of Solid Solution Decomposition
Design and Development of Novel High-temperature Creep Resistant 9% Cr Steels
Design of Nd-Fe-B Permanent Magnets with Maximum Coercivity by Controlling Grain Boundary Chemistry at the Atomic Level
Determination of Interfacial Free Energies in Two-phase Metallic Alloys: Atom-probe Tomographic Experiments and First-principles Calculations
Diffusivity Determination of Slow Diffusion Systems using Diffusion Couples and Multiples
First-principles Modeling of Anomalous Precipitation in W-Re Alloys under Neutron Irradiation
Grain Boundaries in Molybdenum. The Role of Segregation for an Improved Ductility
Interaction of Solutes with Interfaces in Iron
Kinetic Pathways in Phase Separation Processes: Atom-Probe Tomography versus Modeling
Local Order and Lattice Dynamics in a Shape Memory Strain Glass Alloy
Method for Correcting Atom Probe Tomography Trajectory Aberration Artifacts in Multiphase Materials
Microstructural Characterization of Mn-Ni-Si Precipitates in Reactor Pressure Vessel Steels from the High Fluence Intermediate Flux UCSB ATR-2 Irradiation
Nanoalloys & Nanoparticles for Catalysis: Insights from Atom Probe Tomography & Complementary Techniques
On the Amazing Role of Atom Probe Tomography in Nuclear Materials Research: Some Seminal Contributions and Opportunities for Developing a New Lab On a Chip Paradigm
Outlooks for Atom Probe Microscopy
Phase Decomposition in Fe-Cr Alloys under Irradiation
Precipitation Kinetics: Quantitative In-situ Characterization Using Small-angle Scattering Helps Establish Models Validity
Prediction of Segregation Induced Precipitation at Dislocations via Atomistic Simulations
Quantification of Hydrogen using Atom Probe Tomography
Revisiting Field Ion Microscopy
Solute Distribution Analysis of Early Stages of Aging in Al-Mg-Si Alloys via Atom Probe Tomography
Solute Segregation to Migrating Ferrite/Austenite Interfaces
Spinodal Decomposition in FeCr Alloys: From Fundamental to Applications
The Role of Atom Probe Tomography in Decoding the Materials Genome
Thermally Induced Phase Transformations in Beta-titanium Alloys and Corresponding Effects on Mechanical Properties
Unique Insights from the Correlated Combination of Atom Probe and Electron Tomography

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