Abstract
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 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.
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© 2016 TMS (The Minerals, Metals & Materials Society)
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Jiang, Y., Lv, L., Wu, Y. (2016). Solid-Liquid Phase Transitions of FCC-Al and HCP-Mg Nanoparticles. In: TMS 2016 145th Annual Meeting & Exhibition. Springer, Cham. https://doi.org/10.1007/978-3-319-48254-5_41
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DOI: https://doi.org/10.1007/978-3-319-48254-5_41
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-48624-6
Online ISBN: 978-3-319-48254-5
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