About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Linking Strength to Order and Disorder in Metals |
Author(s) |
Nicolas Argibay, Michael Chandross, Prashant Singh, Duane Johnson |
On-Site Speaker (Planned) |
Nicolas Argibay |
Abstract Scope |
We present work establishing a general predictive model – with no fitting parameters – for the peak strength of pure metals and alloys, and possible links to ductility. The model considers the strength of metals to be the result of an activated process, specifically the formation of an amorphous interface in initially chemically and/or structurally ordered metallic solids. We will also present computationally inexpensive methods for the determination of basic thermodynamic properties (e.g., enthalpy and entropy of mixing) and how these can be combined with tabulated elemental properties and structural information to accurately predict the order-dependent strength of pure metals and alloys. Predictions are also shown to be in good agreement with those from charge-density-dependent correlations for metals and alloys, including random solid solutions (high-entropy alloys). We also explore the possibility that this framework can be adapted to semi-quantitatively assess ductility. |
Proceedings Inclusion? |
Planned: |
Keywords |
Mechanical Properties, Computational Materials Science & Engineering, Modeling and Simulation |