|About this Abstract
||2021 TMS Annual Meeting & Exhibition
||Hume-Rothery Symposium: Accelerated Measurements and Predictions of Thermodynamics and Kinetics for Materials Design and Discovery
||Extended Applications of the CALPHAD Simulations
||Fan Zhang, Duchao Lv, Weisheng Cao, Shuanglin Chen, Chuan Zhang, Songmao Liang
|On-Site Speaker (Planned)
Computer simulation has played an important role in accelerated materials design and development. Among various types of science-based models and methods, the CALPHAD approach has been recognized as a key building block of ICME due to its successful application to technically important multi-component systems. The capability of the CALPHAD-type of modeling tools goes beyond phase diagram calculations and extends to a variety of materials science and engineering fields. To further enhance the power of the CALPHAD approach, efficient use of the simulated phase-related data and effective integration of these data with advanced models is key. New features of the Pandat software for high throughput calculation, processing and visualizing the simulated results through Python, and integration with Phase Field simulation will be shown in this presentation. Application examples will be presented for a variety of alloys, including Al-based alloys, Ni-based alloys, as well as high entropy alloys.