About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Advances in Multi-Principal Elements Alloys X: Structures and Modeling
|
Presentation Title |
Effects of Short-range Order on Thermodynamic Properties of AlxCoCrFeNi High-entropy Alloys |
Author(s) |
Md Abdullah Al Hasan, Seungha Shin, Peter K Liaw, Dustin Allen Gilbert |
On-Site Speaker (Planned) |
Md Abdullah Al Hasan |
Abstract Scope |
Short-range order (SRO) in high-entropy alloys (HEA) have been observed both computationally and experimentally in recent research, and it was found that the SRO has a significant effect on the physical properties of the HEAs. However, no comprehensive work on the analysis of SRO and tuning of the properties of HEA has been performed. Also, it is very difficult to analyze the SRO and physical properties of many HEAs experimentally within a short time. In this work, the SRO parameter in the AlCrCoFeNi HEA structure and its corresponding thermodynamic properties were investigated using molecular dynamics (MD) simulations and density functional theory (DFT) calculations. Moreover, modern data analytics, such as correlation analysis and machine learning, were utilized to identify correlations among these properties and SRO parameters and predict thermodynamic properties for the HEA design. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, Machine Learning |