| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
|
| Presentation Title |
FYL-CVM: A Thermodynamic Model with Intrinsic Chemical Short-Range Order |
| Author(s) |
Rajendra Prasad Gorrey, Chu-Liang Fu, Bi-Cheng Zhou |
| On-Site Speaker (Planned) |
Bi-Cheng Zhou |
| Abstract Scope |
Chemical short-range order (CSRO) prevails for all the thermodynamic states. But, only a few thermodynamic models account for this. Calculation of CSRO using these models such as Cluster Variation Method (CVM) or Cluster Site Approximation (CSA) is computationally intensive, especially for multi component and/or ordered systems. On the other hand, the widely used CALPHAD could not provide CSRO. The application of Fowler-Yang-Li (FYL) transformation to the cluster variables in the framework of CVM could result in significant reduction in the number of variables required to calculate CSRO. In spite, there is not much loss in the accuracy of thermodynamic properties and the order of transformation for binary fcc and bcc systems remained the same. Reproducibility of these characteristic features and flexibility to incorporate the elastic and thermal interactions into the model makes this a suitable tool for thermodynamic modelling of complex concentrated alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, |