Atomistic Simulations of Nonequilibrium Crystal-Growth Kinetics from Alloy Melts

Yang Yang, Harith Humadi, Dorel Buta, Brian B. Laird, Deyan Sun, Jeffrey J. Hoyt, and Mark Asta
Phys. Rev. Lett. 107, 025505 – Published 7 July 2011
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Nonequilibrium kinetic properties of alloy crystal-melt interfaces are calculated by molecular-dynamics simulations. The relationships between the interface velocity, thermodynamic driving force, and solute partition coefficient are computed and analyzed within the framework of kinetic theories accounting for solute trapping and solute drag. The results show a transition to complete solute trapping at high growth velocities, establish appreciable solute drag at low growth velocities, and provide insights into the nature of crystalline anisotropies and solute effects on interface mobilities.

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  • Received 26 March 2011


© 2011 American Physical Society

Authors & Affiliations

Yang Yang1,2, Harith Humadi3, Dorel Buta4, Brian B. Laird1, Deyan Sun2, Jeffrey J. Hoyt3, and Mark Asta5,4

  • 1Department of Chemistry, University of Kansas, Lawrence, Kansas, USA
  • 2Department of Physics, East China Normal University, Shanghai, China
  • 3Department of Materials Science and Engineering, McMaster University, Hamilton, Ontario, Canada
  • 4Department of Chemical Engineering and Materials Science, University of California, Davis, California, USA
  • 5Department of Materials Science and Engineering, University of California, Berkeley, California, USA

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Vol. 107, Iss. 2 — 8 July 2011

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