Publication details
Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys
| Authors | |
|---|---|
| Year of publication | 2024 |
| Type | Article in Periodical |
| Magazine / Source | METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE |
| MU Faculty or unit | |
| Citation | |
| web | https://link.springer.com/article/10.1007/s11661-024-07362-3 |
| Doi | http://dx.doi.org/10.1007/s11661-024-07362-3 |
| Keywords | TINCRYSTAL |
| Description | We have performed a theoretical study of three polymorphs of Pb-supersaturated Sn-rich Pb-Sn alloys with the -Sn, -Sn, and a simple-hexagonal -Sn structure employing quantum-mechanical calculations. We focused on structure–property relations in the case of lattice parameters, thermodynamic stability, elastic properties, and mechanical stability as well as electronic-structure density of states. Compositional trends in structural, thermodynamic, and electronic properties were found nearly linear. Our study also sheds new light on a decades-long controversy surrounding the existence of -phase and -phase supersaturated Sn-rich Pb-Sn alloys. We suggest that the experimental difficulties when synthesizing them are caused by their high formation energy and mechanical instability of the -phase. |
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