The theoretical and experimental study of the Sb-Sn nano-alloys

• Published in: Calphad Vol. 64; pp. 90 - 96
• Main Authors: Kroupa, A., Vykoukal, V., Káňa, T., Zemanová, A., Pinkas, J., Šob, M.
• Format: Journal Article
• Language: English
• Published: Elmsford Elsevier Ltd 01.03.2019; Elsevier BV
• Subjects: Agglomerates; Antimony base alloys; Computer simulation; Intermetallic phases; Mathematical models; Modelling; Morphology; Nanoalloys; Nanoparticles; Phase equilibria; Phase transitions; Thermodynamic equilibrium; Thermodynamic properties; Tin
• ISSN: 0364-5916; 1873-2984
• DOI: 10.1016/j.calphad.2018.11.004

The Sb-Sn nano-alloys were prepared by wet synthesis and studied experimentally and by theoretical modelling. A combination of CALPHAD and ab initio method for modelling of the influence of particle size on the thermodynamic properties and phase equilibria in systems with complex, intermetallic phases was used to model the properties of the Sb-Sn system. The disappearance of the Sb2Sn3 phase was predicted for the equilibria with the particle radius below 80 nm. The experimental study carried out on Sb-Sn nanoalloys showed that Sb2Sn3 did not appear during the 1st run of DSC measurement, when the morphology of sample contains agglomerates of nanoparticles with the radius below 50 nm. •The influence of the particle size on the phase boundaries and invariant reactions was studied for the Sb-Sn system.•The combination of the CALPHAD method and ab initio calculations was used for modelling.•The suppression of existence of the Sb2Sn3 phase for particle diameter below approx. 80 nm was predicted by the modelling.•The experimental study carried out on Sb-Sn nanoalloys showed that the Sb2Sn3 did not appear in the nanoalloy sample.