|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Solid-liquid Phase Transitions of FCC-Al and HCP-Mg Nanoparticles
||Yewei Jiang, Linlin Lv, Yongquan Wu
|On-Site Speaker (Planned)
We used molecular dynamics methods to simulate the melting and cooling of isolated fcc-Al and hcp-Mg nanoparticles with embedded-atom method (EAM) potentials. Bond orientational order (BOO) parameters and Voronoi polyhedron (VP) method were used to identify the local structure and local volume of each atom. The variation of energy and radial distribution functions (RDFs) was first analyzed to give an overview of the simulation. The inner structure evolution during the solidification was also investigated under different cooling rates. Two different inner structures, including five-fold twinning and lamellar structures, have been found in the cooling process of fcc-Al, while only lamellar structures for hcp-Mg.
||Planned: A print-only volume