Prediction of Glass Forming Ability Through High Throughput Calculation
In this work, high throughput calculation (HTC) is used to identify composition regions with good glass forming ability (GFA) in the Al-Cu-Zr, Cu-Ni-Zr, Cu-Ti-Zr, Cu-Ni-Ti-Zr, Al-Cu-Ni-Ti-Zr, Mg-Ca-Cu, and Mg-Ca-Ni systems. The predicted composition regions agree well with those observed by experiments in the ternary systems, while less satisfactory agreement is found in the Cu-Ni-Ti-Zr quaternary and the Al-Cu-Ni-Ti-Zr quinary systems. The possible causes that lead to the deviation in the higher order systems are discussed. The major advantage of the HTC method used in this study is that it is simple and can be easily applied to multicomponent systems. The color maps of liquidus temperature and solidification range obtained by HTC provide a valuable guidance to the experimentalists, thus they can focus on the composition regions with high potential of forming bulk metallic glasses, avoid unnecessary trial-and-error test and save time and cost. This approach can also be combined with other criteria to filter compositions with better GFA.
Keywordsbulk metallic glasses (BMGs) CALPHAD approach glass forming ability (GFA) high throughput calculation (HTC)
- 10.A. Inoue, Bulk Amorphous Alloys: Preparation and Fundamental Characteristics, (Trans Tech Publications LTD, 1998)Google Scholar
- 13.C. Tang, H. Zhou, Thermodynamics and the glass forming ability of alloys, in Thermodynamics: Physical Chemistry of Aqueous Systemsed, ed. by J.C. Moreno-Piraján (InTech, 2011), pp. 49–72Google Scholar
- 14.W.A. Johnson and R.F. Mehl, Reaction Kinetics in Processes of Nucleation and Growth. Trans. AIME. 135, 416–458 (1939)Google Scholar
- 16.L. Kaufman and H. Bernstein (ed.), Computer Calculation of Phase Diagrams, (Academic Press, New York, 1970)Google Scholar