| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
|
High Entropy Materials: Concentrated Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond V
|
| Presentation Title |
Predicting Coefficient of Thermal Expansion and Temperature-Dependent Elastic Properties of High Entropy Alloys |
| Author(s) |
Yi Wang, Saro San, Michael C. Gao |
| On-Site Speaker (Planned) |
Michael C. Gao |
| Abstract Scope |
Coefficient of thermal expansion (CTE) impacts various properties of metals and alloys including creep, oxidation, and scale spallation. Temperature dependent elastic properties are very important to model strength, creep, and fatigue at elevated temperatures. To predict CTE and temperature dependent elastic constants typically require phonon calculations that can be computationally intense and time consuming. In this talk, we will present an optimized Debye–Grüneisen model that revolutionizes the determination of the Debye temperature and Grüneisen parameters. Unlike conventional methods, our model requires only the 0 K energy volume data for a material as input, eliminating the need to determine the bulk modulus and pressure derivative of the bulk modulus, which often pose challenges due to numerical uncertainties. Validation of the model against reported experimental data and application of the model to high throughput CTE calculations for alloy design will be presented. |