Atomistic Simulations of Nonequilibrium Crystal-Growth Kinetics from Alloy Melts

Yang Yang, Harith Humadi, Dorel Buta, Brian B. Laird, Deyan Sun, Jeffrey J. Hoyt, Mark Asta
2011 Physical Review Letters  
Non-equilibrium kinetic properties of alloy crystal-melt interfaces are calculated by moleculardynamics simulations. The relationships between 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
more » ... ights into the nature of crystalline anisotropies and solute effects on interface mobilities.
doi:10.1103/physrevlett.107.025505 pmid:21797620 fatcat:37indo53svhf5jznereeuodiki