Evaluation of the Glass Transition Temperature During Rapid Solidification in Melt-Spinning by Numerical Simulation of Cluster Growth

Classical nucleation theory states that in first order phase transformations, such as liquid to solid transition, nucleation of the product phase starts with the formation of small, unstable clusters (embryos). When the thermodynamic barrier to nucleation is overcome, the embryos grow and attain a critical size, beyond which they are stable, i.e. they become nuclei. If nucle- ation does not occur, the parent, liquid phase remains in metastable equilibrium. At temperature lowers, undercooling increase and atomic mobility decreases. The viscosity change in the undercooled liquid may result in the formation of glassy state. As demonstrated in previous papers [I-21, in solidification involving surface nucleation of the product phase, as the case is in rapid quenching by melt-spinning, both nucleation temperature and nucleation time depend upon the number of atoms available at the isothermal surface in contact with the substrate. As a result of the thinness of the melt-spun ribbons, the embryo clusters that form at the freezing temperature may not be supplied by the amount of atoms necessary for their growth to critical nuclei sizes. In such extreme conditions, the liquid does not crystallize, it forms a metallic glass. A numerical simulation method is proposed for the reactions involved in embryo cluster formation and growth, at the atomic level. The simulation enables the caIcuIation of either the nucleation or the glass transition temperatures. Calculations made for the well-known glass forming CuZr and FeB systems afford prediction of the geometrical and thermodynamically conditions necessary for the formation of either crystalline or amorphous ribbons in melt-spun ribbons.