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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 60C. 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

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Capturing the Growth of Quasicrystals Near- and Far-from-Equilibrium
Complex Intermetallic Compounds: Original Surface Structures for Unusual Surface Properties
Direct Evaluation of Quasicrystal Bulk and Surface Energies in Density Functional Theory
In-Situ Growth of PtSn4, a Complex Layered Intermetallic
Influence of Icosahedral Short-range Order in the Liquid on Solidification Morphologies
Intermetallic Compounds from Metallic-glass Precursors
Simulating Complex Crystal Structures and Their Assembly in Hard and Soft Condensed Materials

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