Department of Materials Science and Technology, University of Science and Technology Beijing, Beijing 100083, China
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DOI:
10.7502/j.issn.1674-3962.2015.01.03
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Abstract:
The computational materials thermodynamics is very important for the multi-scale materials design. The research works, including the phase equilibria of multi-components alloy systems and the thermodynamic databases based on the CALPHAD technique, will be served for the composition design and development of the related materials. In the present work, the development process and basic principle of the computational materials thermodynamics are briefly introduced. Combined with the materials design of advanced magnesium alloys and based on the database of the magnesium-based alloys, the methods of thermodynamic assessments and the situation of Mg-based alloy phase diagrams are summarized from the views of solid solution strengthening, age hardening, precipitation strengthening, grain refinement and glass formation ability. According to the Gibbs energy functions of Mg-Zn-Zr/Ca systems in the Mg-based database, the equilibrium phase relations are calculated and the alloying effects of Zr and Ca are analyzed. The mutual integration and promotion between the study of materials design integration and the development of Magnesium alloys are greatly important to give full play to their effective functions.