| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
High Performance Steels
|
| Presentation Title |
Atomistic Modeling of a Nano-precipitate Strengthened Alloy |
| Author(s) |
Edwin Antillon, Colin Stewart, Noam Bernstein, Michelle Johannes, Richard Fonda, Keith Knipling, Patrick Callahan |
| On-Site Speaker (Planned) |
Edwin Antillon |
| Abstract Scope |
We present a series of atomistic level calculations for properties relevant to phase stability and strengthening mechanisms of a nano-precipitate strengthened austenitic steel alloy. Density functional theory is used to calculate bulk energies, point defects, and elastic properties of disordered and ordered phases observed in a novel nano-precipitate strengthened austenitic steel Fe–17.7Mn–10.0Ni–5.0Al–4.7Cr–4.0Cu–0.48C (wt.%). To capture short-range and long-range interactions between the precipitates and the matrix, we make use of a surrogate interatomic potentials to model interfacial properties and deformation mechanisms between the matrix and the precipitate. Our atomistic results are validated against experiment by comparing precipitate shape-morphology and quantifying the contribution of solute-solution and precipitate strengthening to the overall yield strength of the alloy |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Iron and Steel, Modeling and Simulation, Computational Materials Science & Engineering |