For the Cu-Zr-Al system, the glass forming compositions were firstly calculated based on the extended Miedema's model, suggesting that the amorphous phase could be thermodynamically favored over a large composition region. An n-body potential was then constructed under the smoothed and long-range second-moment-approximation of tight-binding formulism. Applying the constructed Cu-Zr-Al potential, molecular dynamics simulations were conducted using solid solution models to compare relative stability of crystalline solid solution versus its disordered counterpart. Simulations reveal that the physical origin of metallic glass formation is crystalline lattice collapsing while solute concentration exceeding the critical value, thus predicting a hexagonal composition region, within which the Cu-Zr-Al ternary metallic glass formation is energetically favored. The molecular dynamics simulations predicted composition region is defined as the quantitative glass-forming-ability or glass-forming-region of the Cu-Zr-Al system.
By considering the energetic competition between the crystalline solid solution and glass phase, a thermodynamic method is proposed to predict/determine the glass forming range of a ternary metal system and in terms of the dynamics, the parameter gamma(ABC)* is further defined to search for a proper alloy with superior glass forming ability in the system. 10 more ternary/binary metal systems, e.g. the Cu-Zr-Ti and Cu-Hf-Ti systems, were studied and the predicted alloys of superior glass forming ability match well with those reported from experimental observations.
Equilibria E 4000Proposed Thermodynamic Method to Predict the Glass Formation of the Ternary Transition Metal Systems. -A thermodynamic method is proposed to predict the glass forming range of a ternary metal system by considering the energetic competition between the crystalline solid solution and glass phase. For several systems including Cu-Zr-Ti and Cu-Hf-Ti, the predicted alloys with superior glass forming ability match well with those reported from experimental observations. -(WANG, T. L.; LI, J. H.; LIU*, B. X.; Phys.
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