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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Materials by Design: An MPMD Symposium Honoring Greg Olson on the Occasion of His 70th Birthday
Presentation Title Computational Thermodynamics and Materials Design
Author(s) Zi-Kui Liu
On-Site Speaker (Planned) Zi-Kui Liu
Abstract Scope Thermodynamics is a science concerning the states of a system whether it is stable, metastable, unstable or any states between. In this presentation, the thermodynamic fundamentals are reviewed and discussed in terms of theory, modeling, and applications. It is demonstrated that CALPHAD (CALculations of PHAse Diagrams) method for modeling of thermodynamic properties of individual phases provides a mechanism to systematically model thermodynamics and other properties of multicomponent systems. The availability of first-principles calculations based on density functional theory has further significantly strengthened the CALPHAD approach, contributing to materials design and Materials Genome®, the improvement of modeling robustness, and the in-depth understanding of materials behaviors such as critical phenomena. Prof. Olson’s pinioning contributions in integrating computational thermodynamics and materials design will be discussed along with the author’s personal interactions with Prof. Olson over the years.
Proceedings Inclusion? Planned: Stand-alone book in which only your symposium’s papers would appear (indicate title in comments section below)

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A History of Materials by Design, and a Very Bright Future
Computational Thermodynamics and Materials Design
Creating Materials Databases Using X-Ray Tomography
Exploring the Dark Continent of Structure-Property Relationships
Formalizing the Process-Structure-Property-Performance Approach to Materials Design and Development
GBO, SRG, ICME and MGI - Towards the General Materials Design System
The Redistribution of Carbon Atoms during Tempering of Martensite
The Use of 3D Microstructural Characterization for the Validation of Models

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