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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Symposium: Thermodynamics, Phase Equilibria and Kinetics for Materials Design and Engineering
Presentation Title Computational Thermodynamics in Microstructure Modelling and Beyond
Author(s) Georg J. Schmitz
On-Site Speaker (Planned) Georg J. Schmitz
Abstract Scope Current methods and trends aiming towards “engineering the material” and their integration into the holistic framework of Integrated Computational Materials Engineering “ICME” will be highlighted. The somehow historical overview starts from the nascent stages of computational thermodynamics and continues via spatially resolved thermodynamics and kinetics in multi-phase-fields modes allowing the description of microstructure evolution in complex alloy systems. The journey further continues by highlighting methods to extract effective properties from microstructures and making them available to the FEM community, which typically focuses on “engineering with materials” and is interested in a number of parameters characterizing the properties of a material essentially without considering any influences of the materials microstructure. A major challenge in combining all these tools is to achieve their interoperability. The presentation thus concludes with a short introduction into the European Materials & Modelling ontology EMMO.
Proceedings Inclusion? Undecided

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Hexagonal Close Packed Multi-principal-element Alloy Identified Computationally
Alloys, Processing, Applications, Models and Software: The Wide Domain of Gibbs Energies Sets Giving Impulse to Invention
Application of Calphad-based Computational Tools to Alloy Development for Additive Manufacturing
Calphad Applications and Challenges in Gas Turbine Coatings
CALPHAD Databases for Co-based Alloys
Computational Thermodynamics in Microstructure Modelling and Beyond
Developing CALPHAD Databases for Thermophysical Properties of Metals and Alloys
Development of a Comprehensive Diffusion (mobility) Database for Lightweight Magnesium Alloys
Diffusion Mobilities in Co-Ni-Al-Cr System
First-principles Thermodynamics of Refractory Alloys and their Oxides
How Can the CALPHAD Method Do Better?
Improvement of a CALPHAD Database for the Development of Next Generation TiAl Alloys by Targeted Key Experiments on High-temperature Phase Equilibria – The EU Project Advance
Industrial Applications of Thermodynamic and Kinetics Modeling
Interaction of Moving Grain Boundaries with Solutes in Alloys
Materials Property Databases Developed by the CALPHAD Approach and Their Applications in Materials Design
Measurements of Thermophysical Properties of Metals and Alloys as Input for Computational Thermodynamics
On the Intrinsic Alloying Behavior in the A and M Sublattices of MAX Phases
On the Next Generation of Thermodynamic CALPHAD Databases
Phase Equilibria and Interfacial Migration in Stressed Solids
Phase Equilibria in High-entropy and Complex-concentrated Alloys
Selected Observations of Microstructural Development in Additively Manufactured Metallic Alloys
The Application of Metastable Equilibria in the Analysis of Transformation Behavior
The Third Generation of CALPHAD Descriptions: Case Studies on Al-C and W-C
Thermodynamic Assessment of the Fe-B and Fe-B-C- Systems
Thermodynamic Modeling of Precipitates of Topologically Close-packed Phases
Thermodynamics at Equilibrium and Non-equilibrium – Genomic Tools for Materials Design
Tomorrow fcc Ordering Model
William Hume-Rothery Award Lecture: Phase Diagrams, Computational Thermodynamics and CALPHAD

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