Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys

• Autoři: FRIAK M.; ČÍPEK Petr; PAVLŮ Jana; ZOBAČ O.; ROUPCOVÁ P.; MIHALIKOVÁ I.; HOLEC D.; MSALLAMOVÁ S.; MICHALCOVÁ A.
• Rok publikování: 2024
• Druh: Článek v odborném periodiku
• Časopis / Zdroj: METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
• Fakulta / Pracoviště MU: Přírodovědecká fakulta
• www: https://link.springer.com/article/10.1007/s11661-024-07362-3
• Doi: http://dx.doi.org/10.1007/s11661-024-07362-3
• Klíčová slova: TINCRYSTAL
• Popis: 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.

Související projekty

• Metody chemické a fyzikálně-chemické analýzy pro studium přírodních a syntetických materiálů.