About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Thermodynamics and Kinetics of Alloys
|
Presentation Title |
Calculation of Critical Points |
Author(s) |
Shuanglin Chen, Rainer Schmid-Fetzer , John Morral |
On-Site Speaker (Planned) |
Shuanglin Chen |
Abstract Scope |
Miscibility gaps appear in many alloy systems and so do spinodal and critical points. Three methods are presented for determining a critical point in a multicomponent system. The first method uses Gibbs thermodynamic conditions for spinodal and critical points. The second method for a critical point uses the fact that the third directional derivative of Gibbs energy along the eigenvector direction of Gibbs energy Hessian must be zero at a critical point. The third method uses the geometric features of binodal, spinodal, and eigenvector of Gibbs energy Hessian to determine the position of a critical point on a spinodal curve. The thermodynamic conditions for a spinodal and critical point in a binary system will be naturally extended to a multicomponent system in terms of directional derivatives of Gibbs energy. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, ICME |