Architecture of Thermodynamic Databases for Evaluation of Nano-size Alloys Phase Diagrms

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(1) The surface tension of liquid alloys, molten ionic mixtures and interfacial tension between liquid Fe and molten slag have been evaluated from Butler's equation with thermodynamic databases.(2) Binary phase diagrams of small particle systems, which consist of a liquid phase with pure solid phases, have been evaluated from the information on the Gibbs energy in the bulk and the surface tension of the liquid phase. As the size of the particle decreases, the melting point of the pure component decreases and the liquid phase region is enlarged. These changes of the phase relations with the sire of the particle are dependent upon the composition dependence of the surface tension of the liquid phase.(3) Nano-particle binary alloy phase diagrams have been evaluated from the information on the Gibbs energy and the surface tension of the bulk size on the basis of the regular solution model. As the Size of the particle decreases, the liquid phase region is enlarged in those binary phase diagrams, in other words, the liquids temperature decreases. Effect of the size of the particle on the phase equilibria is remarkable when the excess Gibbs energy is positive and its absolute value is large in solid and liquid phases.(4) Based on the above investigations, we have constructed the thermodynamic databases on the nano-size alloy phase diagrams.