Abstract
ABSTRACTNon-equilibrium Molecular Dynamics simulation methods have been used to study the trapping of “impurities” in an Ag5B15 Lennard-Jones alloy where the B atoms are 10% bigger in diameter than A. The observation of surface melting in this system is used to calculate an equilibrium interfacial segregation coefficient. Simulations of rapid melting and resolidification were performed for the (100) and (111) orientations at two different substrate temperatures (0.65 Tm and 0.95 Tm) for each orientation. Solute impurity atoms are shown to have been trapped at greater concentrations in the solid than under equilibrium conditions. Partitionless solidification is observed when the regrowth velocity greatly exceeds the diffusive velocity.
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