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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 Prediction of Segregation Induced Precipitation at Dislocations via Atomistic Simulations
Author(s) Chad Sinclair, Evgeniya Dontsova, Joerg Rottler
On-Site Speaker (Planned) Chad Sinclair
Abstract Scope There are many problems in materials science for which mean-field models are inappropriate. An example is precipitation in the vicinity of a dislocation. The presence of the long-range strain field of the dislocation makes both the local thermodynamics and kinetics spatially and temporally complex and not easy to capture without information about the local details of the dislocation. In this work we have used a recent adaptation of the “diffusive molecular dynamics” (DMD) model to examine the precipitation of an ordered phase at edge dislocations in the Al-Mg system. It is found that segregation of Mg lowers the barrier for nucleation of the ordered phase to zero, allowing for a “barrierless” first order transition. It will be shown that this has similarities to, but is distinct from, dislocation induced precipitation in systems exhibiting a chemical spinodal. These results will be compared with experimental observations of ordered phase formation at dislocations.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

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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
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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
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Solute Distribution Analysis of Early Stages of Aging in Al-Mg-Si Alloys via Atom Probe Tomography
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Spinodal Decomposition in FeCr Alloys: From Fundamental to Applications
The Role of Atom Probe Tomography in Decoding the Materials Genome
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