Modeling the thermodynamic properties of bimetallic nanosolids |
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Authors: | Y.J. Li W.H. Qi B.Y. Huang S.Y. Xiong |
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Affiliation: | a School of Materials Science and Engineering, Central South University, Changsha 410083, PR China b Key Laboratory of Non-ferrous Materials Science and Engineering, Ministry of Education, Changsha 410083, PR China c State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, PR China |
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Abstract: | A model has been developed to account for size, shape, surface segregation, composition and dimension dependent cohesive energy of bimetallic nanosolids, and further been extended to predict the size dependent thermodynamic properties, such as melting temperature, Curie temperatures, ordering temperature and phase diagram. The cohesive energy, melting temperature, Curie temperatures and ordering temperature of bimetallic nanosolids decrease with decreasing the particle size. The depression is dramatic in the lower range of size, while it becomes smoothly in large size. For nano phase diagram, the solidus and liquidus curves drop and the two-phase zones become small, as the size of the nanosolids decreases. The two-phase zones of the nano phase are always lower than the regions indicated in the bulk Ag-Pd alloy phase diagram, and they may deteriorate into a curve at a critical size. It is also found that the thermodynamic properties of nanosolids not only depend on the compositions, the atomic diameter and the cohesive energy of each component, but also depend on the size and the shape. The model predictions are consistent with the corresponding simulation, semi-empirical model and experimental data. |
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Keywords: | A. Metals A. Nanostructures D. Thermodynamic properties |
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