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

Publikationen: Beitrag in FachzeitschriftArtikelForschung(peer-reviewed)

Autoren

  • Martin Friák
  • Petr Cipek
  • Jana Pavlu
  • Ondrej Zobac
  • Pavla Roupcova
  • Ivana Miháliková
  • Sarka Msallamova
  • Alena Michalcova

Organisationseinheiten

Externe Organisationseinheiten

  • Czech Academy of Sciences, Brno
  • Masaryk Universität
  • Universität für Chemie und Technologie in Prag
  • Technische Universität Brünn

Abstract

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.

Details

OriginalspracheEnglisch
Seiten (von - bis)1867-1877
Seitenumfang11
FachzeitschriftMetallurgical and materials transactions. A, Physical metallurgy and materials science
Jahrgang55.2024
AusgabenummerJune
DOIs
StatusVeröffentlicht - 4 Apr. 2024