|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Properties of Liquid TiAl Alloys from Classical MD Simulation and Comparison to Electrostatic Levitation (ESL) Experiments
||Brian Novak, Jonathan Raush, Xiaoman Zhang, Wenjin Meng, Shengmin Guo, Dorel Moldovan
|On-Site Speaker (Planned)
Accurate thermophysical property data for liquid metals and alloys are important for the development of realistic simulations of laser-based 3D printing processes. We are using the electrostatic levitation (ESL) method, molecular dynamics (MD) simulation, and CALPHAD calculations to obtain such data for Ti alloys. We used classical MD to obtain densities, diffusivities, viscosities and surface tensions for TiAl using an existing modified embedded atom method (MEAM) potential. The simulated viscosities and surface tensions for pure Ti agree well with the ESL data. The TiAl viscosities have the same trends as the ESL data, but not quantitative agreement. The simulated TiAl surface tensions do not match experiment due to a large deviation for pure Al. Modifications were made to the MEAM potential to improve surface tensions and melting temperatures.
||Planned: Supplemental Proceedings volume