About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Interstitial–Metal Interactions: The Outsized Role of Small Atoms
|
| Presentation Title |
Stress- Driven Interstitial Phase Transformation in Metals |
| Author(s) |
Ramisa Ferdous, Xingsheng Sun |
| On-Site Speaker (Planned) |
Ramisa Ferdous |
| Abstract Scope |
Traditional interstitial-solute-induced phase transformations are commonly driven by changes in solute pressure or electric potential, as reflected in chemical-potential-composition isotherms. In this work, we investigate stress-driven interstitial phase transformations in metallic systems that are in equilibrium with a solute environment. The proposed approach is based on Diffusive Molecular Dynamics and aims to minimize the system’s grand canonical potential, which is equivalent to minimizing the free energy under a spatially uniform chemical potential. We apply this thermodynamic framework to study hydrogen-induced phase transformations in palladium-hydrogen systems subjected to various loading conditions, including uniaxial, biaxial, and triaxial tension and compression. By identifying energetically stable interstitial sites under different stress states, we calculate stress-composition isotherms and determine the critical loading conditions associated with different chemical potentials. The results provide mechanistic insight into how mechanical stress alters solute uptake, phase stability, hydride transformation, and mechanical properties in metals. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Phase Transformations, Modeling and Simulation, |