| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Frontiers of Materials Award Symposium: Intermetallic Alloys at the Edge of Complexity: Structural and Kinetic Aspects
|
| Presentation Title |
In-Situ Growth of PtSn4, a Complex Layered Intermetallic |
| Author(s) |
Lin Zhou, Feng Zhang, Jiaqi Yu, Xiaotian Fang, Wenyu Huang, Matthew J. Kramer |
| On-Site Speaker (Planned) |
Matthew J. Kramer |
| Abstract Scope |
Complex layered intermetallic compounds are prone to defects and disorder that can dramatically affect their electronic properties. By encapsulating nano-particles of the Pt-Sn in silica, we could follow the nucleation and growth of the compound over multiple heating and cooling cycles to understand how processing can affect quality of crystal formation. The TEM images taken during cooling the liquid through the peritectic revealed the gradual formation of the 3D ordered PtSn4 phase from a 1D quasi-order to a 3D quasi-order structure over about 60°C. Density-functional theory (DFT) and a deep-learning neural-network (NN) potential calculations provided reliable structure and energetics for crystal phases and create training data for NN and embedded atom method (EAM) potentials. The NN and EAM potentials, in turn, expand the time and length scales of DFT, which were necessary to interpret experiments and help establish an adaptive control loop to improve quality of the crystal. |
| Proceedings Inclusion? |
Planned: None Selected |