Thermodynamic analysis and modeling of Pd-Ni-P bulk metallic glass forming system

• Applicants: Professor Dr. Ralf Busch; Professorin Isabella Gallino, Ph.D.
• Subject Area: Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials
• Term: since 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 441308809

In our prior research, we employed the combined experimental studies and CALPHAD (CALculation of PHAse Diagrams) approach to model the novel bulk metallic glass-forming Pd-Ni-S ternary system with the third-generation database approach. The Pd-Ni-S system is of particular interest due to its simplicity and the availability of literature data. The modeled ternary system shows not only excellent agreement with the published data in the literature but also to the extensive experimental acquired data of this work including enthalpy of fusion, heat capacity, etc and prognoses the glass forming region, GFR, of the ternary Pd-Ni-S system based on the calculated Gibs free energy for the glass formation. Therefore, unprecedented modeling for the undercooled liquid gives the possibility to have an insight into the thermodynamic background of the glass-forming mechanism of the Pd-Ni-S system. Expanding upon this success, our plan for a second funding phase involves extending this model to encompass the Pd-Ni-P ternary system, which is known for ist exceptional glass-forming ability. The excellent glass-forming nature of this ternary system allows us to gather more reliable data in the deeply undercooled liquid phase through thermodynamic and kinetic approaches in a wide glass forming range by means of various experimental techniques, including calorimetry methods such as DSC and Flash-DSC. Incorporating these measured findings of the supercooled liquid as input data into our modeling will enrich and fortify our current model with a more comprehensive dataset. This initiative aims to enhance the accuracy and reliability of our model by integrating a broader spectrum of empirical data from a promising system.

• DFG Programme: Research Grants