Structure–Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys
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In: Metallurgical and materials transactions. A, Physical metallurgy and materials science , Vol. 55.2024, No. June, 04.04.2024, p. 1867-1877.
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TY - JOUR
T1 - Structure–Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys
AU - Friák, Martin
AU - Cipek, Petr
AU - Pavlu, Jana
AU - Zobac, Ondrej
AU - Roupcova, Pavla
AU - Miháliková, Ivana
AU - Holec, David
AU - Msallamova, Sarka
AU - Michalcova, Alena
PY - 2024/4/4
Y1 - 2024/4/4
N2 - 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.
AB - 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.
U2 - 10.1007/s11661-024-07362-3
DO - 10.1007/s11661-024-07362-3
M3 - Article
VL - 55.2024
SP - 1867
EP - 1877
JO - Metallurgical and materials transactions. A, Physical metallurgy and materials science
JF - Metallurgical and materials transactions. A, Physical metallurgy and materials science
SN - 1073-5623
IS - June
ER -
