|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Dissimilar Solid-Liquid Interface Free Energy and Anisotropy of Metals Using Molecular Dynamics Simulations
||Seyed Alireza Etesami, Ebrahim Asadi
|On-Site Speaker (Planned)
Understanding interface of dissimilar solid-liquid coexisting structures (at the melting point of one of the elements) is an important problem for liquid phase sintering, liquid infiltration after metal 3D-printing, etc. While the solid-liquid coexisting of similar metals (solidification) has been widely studied using molecular dynamics (MD) simulations, there is no MD work to study the interface properties of dissimilar solid-liquid coexisting structures. We investigate two-phase dissimilar solid (Fe) –liquid (Cu) coexisting structures by MD simulations using MEAM potential. MEAM parameters for binary Fe-Cu alloy is developed by considering high- and low-temperature properties of the alloy. Capillary fluctuation method is used to determine the interface free energies and anisotropy as well as the diffusion rate of liquid Cu into Fe. These data have been used to determine the dihedral angle for Fe as a function of grain boundary angle. The effect of point defects on these quantities have been also investigated.
||Planned: Supplemental Proceedings volume