| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Transformations and Microstructural Evolution
|
| Presentation Title |
Atomistic Modeling of the Twinning fcc/bcc Phase Transformation in Binary Systems: Quasi-particle Approach and Experiment |
| Author(s) |
Gilles Demange, Helena Zapolsky, Kaixuan Chen, Renaud Patte, Zidong Wang, Pavel Korzhavyi |
| On-Site Speaker (Planned) |
Gilles Demange |
| Abstract Scope |
Mechanical properties of metallic alloys strongly depend on their microstructure. In particular, the structure and morphology of precipitates lead to distinct strengthening effects. Recently, it was shown that on the proper range of temperatures, in the fcc CuFeCo system, a twin-like microstructure is formed within Iron rich precipitates. In this work, we applied the quasi-particle approach (QA) [1], recently derived from the continuous atomic density functional approach, to elucidate this phenomenon during casting and aging process. The twinning structure with Kurdjumov-Sachs orientation relationship, twin boundary structure, and fcc-bcc interface structure and propagation mode could be assessed thanks to large scale simulations. [1] Lavrskyi, M., et al., npj Computational Materials, 2, 15013, (2016). |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Phase Transformations, Modeling and Simulation |