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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 Developing CALPHAD Databases for Thermophysical Properties of Metals and Alloys
Author(s) Hailin Chen, Masoomeh Ghasemi, Qing Chen
On-Site Speaker (Planned) Qing Chen
Abstract Scope Calphad method has proved extremely useful in providing fundamental phase diagram information for industrial relevant multicomponent systems in a computational way. Its success relies on the simple and efficient scheme it adopted to model the Gibbs energy of each phase hierarchically from low-order systems to high-order ones, and evaluate model parameters by considering both experimental observations and ab initio calculation data. The method later found its way for describing multicomponent diffusivities so that the diffusion controlled phase transformations can be simulated in a multicomponent alloy. Other thermophysical properties, such as volume or density, can also be modeled in a similar fashion. In this talk, we present our recent progress in constructing Calphad models and developing databases for electric resistivity, thermal conductivity and viscosity of metals and alloys. Verification and validation results will be shown and discussed.
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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