About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
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Symposium
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Hume-Rothery Symposium on Connecting Macroscopic Materials Properties to Their Underlying Electronic Structure: The Role of Theory, Computation, and Experiment
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Presentation Title |
Phase Field Modeling: A Link Between Atomic-scale Interactions and Microstructures of Multiphase Materials |
Author(s) |
Katsuyo S. Thornton |
On-Site Speaker (Planned) |
Katsuyo S. Thornton |
Abstract Scope |
The phase field approach provides a powerful tool for the investigation of microstructural evolution and material design through microstructural control. However, quantitative predictions require accurate material-specific thermodynamic and kinetic input. Atomistic modeling techniques, such as density functional theory and the Monte Carlo approach, are critical for generating information that are difficult or impossible to obtain through experiments. This talk will highlight the applications of integrated approaches involving atomistic and phase field methods, as well as resources that are now freely available to the community, developed through the Predictive Integrated Structural Material Science (PRISMS) Center, a DOE Software Innovation Center, to which Prof. Van der Ven contributes to. The highlights will include a collaborative work with Prof. Van der Ven, as well as recently developed phase field modeling capabilities. A perspective on the future directions in integrated, multiscale computational approaches will also be discussed. |
Proceedings Inclusion? |
Planned: |
Keywords |
Phase Transformations, Computational Materials Science & Engineering, ICME |