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The Anisotropic Free Energy of the Solid-Liquid Phase Boundary in Al

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Interface Science

Abstract

We have performed large-scale molecular dynamics simulations of solid-liquid interfaces in aluminum, in order to calculate their interfacial stiffness and free energy. The anisotropy of these properties, though small, is key for determining the steady-state solutions for solidification in three dimensions. We find that the interfacial free energy, γ(θ), can be well represented by the form γ(θ) = γ0(1 + ε cos 4θ, where θ measures the angle relative to the [100] interface, rotating about a [001] direction. We find values of γ0 = 120 ± 6 mJ/m2 and ε = 1.3 ± 0.4%, in agreement with previous estimates and current experimental results.

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Authors and Affiliations

  1. Ames Laboratory–U.S. Department of Energy, Department of Physics and Astronomy, Iowa State University, Ames, IA, 50011, USA

    J.R. Morris, Z.Y. Lu & K.M. Ho

  2. Ames Laboratory–U.S. Department of Energy, Department of Physics and Astronomy, Iowa State University, Ames, IA, 50011, USA;

    Y.Y. Ye

  3. Center of Analysis and Testing, Wuhan University, Hubei, People's Republic of China

    Y.Y. Ye

Authors
  1. J.R. Morris
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  2. Z.Y. Lu
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  3. Y.Y. Ye
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  4. K.M. Ho
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Morris, J., Lu, Z., Ye, Y. et al. The Anisotropic Free Energy of the Solid-Liquid Phase Boundary in Al. Interface Science 10, 143–148 (2002). https://doi.org/10.1023/A:1015800629100

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  • DOI: https://doi.org/10.1023/A:1015800629100

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