About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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Advances in Multi-Principal Elements Alloys X: Structures and Modeling
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Presentation Title |
Atomistic Modeling of Diffusive High Temperature Plasticity in BCC Refractory-based MPEAs |
Author(s) |
Joel M. Berry, Kate Elder, Aurelien Perron |
On-Site Speaker (Planned) |
Joel M. Berry |
Abstract Scope |
The origins of the excellent high temperature mechanical properties of refractory-based BCC MPEAs are not well understood. At sufficiently high temperatures, plasticity in these alloys should be mediated by a mix of conservative and nonconservative defect motion, e.g. dislocation glide and climb and vacancy diffusion through the bulk and/or grain boundaries. Further, in MPEAs these processes may be significantly modulated by the complex, co-evolving compositional environment. The above effects can span multiple scales and are difficult to simultaneously incorporate into computational models. This has been one factor keeping the microstructural origins of refractory MPEA mechanical performance shrouded. We explore a way to address this issue through phenomenologically time-averaged atomistic simulation approaches (phase-field crystal) that incorporate the above effects. Simulations span from atomistic to microstructural lengths and cover experimentally relevant, diffusive times. Model development and parameterization issues will be addressed and analysis of preliminary results from simulated deformation experiments presented. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
Modeling and Simulation, High-Entropy Alloys, Mechanical Properties |