Mechanical alloying of MoSi2 with ternary alloying elements. Part 2 computer simulation

Abstract

A computer model of the mechanical alloying process has been developed to simulate phase formation during the mechanical alloying of Mo and Si elemental powders with a ternary addition of Al, Mg, Ti or Zr. Using the Arhennius equation, the model balances the formation rates of the competing reactions that are observed during milling. These reactions include the formation of tetragonal C11b MoSi2 (t-MoSi2) by combustion, the formation of the hexagonal C40 MoSi2 polymorph (h-MoSi2), the transformation of the tetragonal to the hexagonal form, and the recovery of t -MoSi2 from h -MoSi2 and deformed t -MoSi2. The addition of the ternary additions changes the free energy of formation of the associ..