Glass-forming range of the Ni-Mo system derived from molecular dynamics simulation and generalized Lindemann criterion

By using molecular dynamics simulation with an n-body Ni-Mo potential, the relative stability of the Ni- and Mo-based solid solutions versus their amorphous counterparts is studied as a function of solute concentrations at 300 K. It is observed that the supersaturated terminal solid solutions have the maximum or critical solute concentrations of 21 at. % of Mo in Ni and 25 at. % of Ni in Mo, respectively, beyond which the solid solutions transform into an amorphous phase. As such, the glass-forming range of the Ni-Mo system is derived to be 21-75 at. % of Mo. The computed critical solute concentrations are compared with those predicted by the generalized Lindemann melting criterion as well as with those revealed by ion-beam mixing/solid-state interdiffusion reaction experiments of Ni-Mo multilayered films. (C) 2000 American Institute of Physics. [S0021-8979(00)03308-9].