|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
||Lattice Mismatch Modeling of Aluminum Alloys
||Dongwon Shin, Shibayan Roy, Thomas R Watkins, Amit Shyam
|On-Site Speaker (Planned)
We present a theoretical framework to accurately predict the lattice mismatch between the fcc matrix and precipitates in the multi-component aluminum alloys as a function of temperature and composition. We use a computational thermodynamic approach to model the lattice parameters of the multi-component fcc and 𝜃′-Al2Cu. Better agreement between the predicted lattice parameters of fcc in five commercial alloys (206, 319, 356, A356, and A356+0.5Cu) and experimental data from the synchrotron X-ray diffraction (SXD) has been obtained when simulating supersaturated than equilibrium solid solutions. We use the thermal expansion coefficient of stable 𝜃-Al2Cu to describe temperature-dependent lattice parameters of meta-stable 𝜃′ and to show good agreement with the SXD data. Both coherent and semi-coherent interface mismatches between the fcc and 𝜃′ are presented.
This project was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, as part of the Propulsion Materials Program.
||Planned: Supplemental Proceedings volume