Export citation

Export citation

Choose format for download:

Download Citation

    Free-energy calculations and the melting point of Al

    J. Mei

    J. W. Davenport

    • Department of Physics, State University of New York At Stony Brook, Stony Brook, New York 11794

    • Department of Physics, Brookhaven National Laboratory, Upton, New York 11973

    Phys. Rev. B 46, 21 – Published 1 July, 1992

    DOI: https://doi.org/10.1103/PhysRevB.46.21

    Abstract

    The temperature dependence of the Gibbs free energies of crystalline and liquid aluminum have been calculated using the embedded-atom method with molecular dynamics. The resulting thermodynamic melting point Tm is 800 K, about 130 K below the experimental value. From the simulation, the free energy of the crystalline phase was obtained by thermodynamic integration methods, while the liquid free energy was calculated by choosing the ideal gas as the reference system. Crystal-liquid interface simulations at zero pressure and several temperatures above and below Tm have been carried out. Melting and freezing processes were observed.

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation