|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
||Phase Field and Atomistic Simulation to Study Solidification in Undercooled Titanium
||Sepideh Kavousi, Brian Novak, Mohammad Dodaran, Dorel Moldovan
|On-Site Speaker (Planned)
We present a complementary phase field method (PFM) and molecular dynamics (MD) simulation study of solidification and dendritic growth of pure titanium. The PFM predicts the microstructure by solving for order parameter and temperature fields, while MD simulation solves the equations of motion equations for the atoms. We first do MD calculations to obtain the bulk properties such as density and latent heat to compare it with experimental data, and the interfacial free energies and kinetic coefficients for solidification as well as their anisotropies. We use the MD results to parameterize the PFM which is then used to study solidification. We investigate the interplay of various parameters on the dendritic arm spacing such as thermal gradient, solidification rate, and undercooling temperature and find a power law relation for predicting arm spacing. In our phase field simulations, we implement a numerical method that enables us to investigate solidification in larger domains.
||Planned: Supplemental Proceedings volume