Calculation Of Thermodynamic Properties Of The Multicomponent Alloys With Miedema Theory

With the development of computer technology, it is more and more important to calculate theoretically the materials thermodynamic properties. The Miedema theory is one of the most successful theories of alloys thermodynamics in recently years. And this theory is widely used in many fields of materials science and engineering and has made a great of achievement.The extended geometry model from Toop model, which is to calculate the multicomponent system alloys from binary or ternary, was present in the paper. The thermodynamic properties of binary alloys were obtained by Miedema's theory. The thermodynamic properties of multi-component alloys were calculated by the geometric model. The binary alloys thermodynamic properties of Fe-Al, Fe-Ti, Fe-Zr, Al-Ti, Al-Zr, Ti-Zr, Fe-Ni, Fe-Ce, Al-Ni, Al-Ce, Ni-Ce, Fe-RE and Al-RE werecalculated with the Miedema's theory. And the thermodynamic properties of the ternary alloys Fe-Al-RE, Ni-AI-RE, Mg-Al-RE and Ti-Al-RE were calculated by using Toop model. The thermodynamic properties for alloys of Fe-Ni-Si-B, Fe-Al-Ti-Zr and Fe-AI-Ni-Ce were also obtained by the present geometric model. The calculated results are reasonably in agreement with the available results of experiments. It indicates that the present model is reasonable and can be applied in materials design etc.