About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Modelling the Impact of Magnetism on Phase Transformations in Metallic Alloys: Application to the Cu–Ni–Fe Spinodal System |
| Author(s) |
Christopher D. Woodgate, Xiaoyu Zhang, George C. Hadjipanayis, Laura H. Lewis, Julie B. Staunton |
| On-Site Speaker (Planned) |
Christopher D. Woodgate |
| Abstract Scope |
Both the rate and nature of diffusional solid-solid phase transformations in metallic alloys are experimentally confirmed to be altered—in some instances—by the application of a mild, static, uniform magnetic field during annealing. Describing such phenomena challenges many conventional simulation approaches, because underlying models are often magnetism-agnostic and magnetic effects can only be included in a post hoc manner. Here, we present a computational modelling approach, based on first-principles density functional theory calculations, in which magnetism is properly accounted for from the ground up. Phase transformations are studied using a combination of an ab initio concentration wave analysis and atomistic Monte Carlo simulations. Experimental validation against the well-studied Cu–Ni–Fe spinodal system confirms that our modelling approach captures the relevant underlying mechanisms with good accuracy. The methodology therefore offers an attractive route for studying the impact of applied magnetic fields on phase transformations in substitutional alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Magnetic Materials, Phase Transformations, Modeling and Simulation |