Atomistic Simulations of Nonequilibrium Crystal-Growth Kinetics from Alloy Melts Academic Article uri icon

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abstract

  • 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.

authors

  • Yang, Yang
  • Humadi, Harith
  • Buta, Dorel
  • Laird, Brian B
  • Sun, Deyan
  • Hoyt, Jeffrey
  • Asta, Mark

publication date

  • July 8, 2011