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| Experimental and Computational Studies of Isothermal Sections of Ni–Al–Ru Ternary System at 1273K and 1473K |
| MAO Xinru1 , WU Xueting2 , LU Xiaogang 1, 2 |
| (1. Materials Genome Institute of Shanghai University, Shanghai 200444, China; 2. Shanghai University, Shanghai 200444, China) |
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Abstract Computational thermodynamics (CALPHAD) method makes use of various experimental data and firstprinciples calculations to optimize model parameters and then establish thermodynamic databases, which is the key point of researching quantitative relations among composition, process, microstructure and material properties for multi–component and multi-phase materials. In the present work, the experimental and computational studies of the Ni–Al–Ru ternary system adopt the CALPHAD method and phase equilibrium experiment to clarify the new approach of Materials Genome Initiative (MGI). The core idea of MGI is the deep integration of computation–experiment–database, which is also the feature of CALPHAD method. The isothermal sections of the Ni–Al–Ru ternary system at 1273K and 1473K were constructed experimentally by examining equilibrated alloys and diffusion couples, through which the phase equilibria were determined by Energy Dispersive Spectroscopy (EDS) and Electron Probe Micro-Analysis (EPMA). Based on the measured phase equilibria and first–principles calculation data, the model parameters formulating the Gibbs energies of various phases of the binary/ternary systems of Ni–Al–Ru were assessed by the CALPHAD method with the Thermo-Calc software. A set of self-consistent thermodynamic parameters of the Ni–Al–Ru system has been obtained successfully and can be extended to multi-component thermodynamic databases for superalloys.
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2021, 
