Stabilization of Al 3 Zr allotropes in dilute aluminum alloys via the addition of ternary elements

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@article{c060b4a40a2a4540bdc0306a92b1abb6,
title = "Stabilization of Al 3 Zr allotropes in dilute aluminum alloys via the addition of ternary elements",
abstract = "The formation of Al3Zr particles within dilute aluminum alloys can contribute effectively to controlling microstructure evolution and enhancing material properties. However, the possible transformation of Al3Zr from its initial metastable crystal structure L12 into its stable, tetragonal structure D023 is associated with faster coherency loss and the coarsening of Al3Zr particles. In this regard, our study aims at identifying ternary elements that can disrupt this mechanism. For this purpose, nine ternary Al-Zr-X alloys (Er, Sc, Hf, Y, Nb, Mn, Cu, Zn and Si) plus a base alloy (Al-Zr) were produced. Isochronal aging was performed at 475 °C and 550 °C, and an investigation of the particle landscape was carried out by STEM and HR-TEM. In parallel, we conducted ab initio calculations to investigate fundamental properties of ternary AlZrX-particles such as substitution likeliness, heat of formation and transformation mechanisms. The elements investigated show various behaviors. Fewer than half of the elements (Er, Sc, Hf and Si) are found to be incorporated into Zr-rich particles to any large extent; Er and Sc exhibit the well-known core-shell structure. Y and Zn do not interfere at all with the precipitation process. Nb, Mn and Cu form particles on their own, with Zr particles often attached to them. Concerning crystal structures, all element additions except for Y and Si widen the stability regime of L12.",
author = "Florian Schmid and Dominik Gehringer and Thomas Kremmer and Luigi Cattini and Peter Uggowitzer and David Holec and Stefan Pogatscher",
year = "2022",
month = jan,
day = "25",
doi = "10.1016/j.mtla.2022.101321",
language = "English",
volume = "21.2022",
journal = "Materialia",
issn = "2589-1529",
publisher = "Elsevier",
number = "March",

}

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TY - JOUR

T1 - Stabilization of Al 3 Zr allotropes in dilute aluminum alloys via the addition of ternary elements

AU - Schmid, Florian

AU - Gehringer, Dominik

AU - Kremmer, Thomas

AU - Cattini, Luigi

AU - Uggowitzer, Peter

AU - Holec, David

AU - Pogatscher, Stefan

PY - 2022/1/25

Y1 - 2022/1/25

N2 - The formation of Al3Zr particles within dilute aluminum alloys can contribute effectively to controlling microstructure evolution and enhancing material properties. However, the possible transformation of Al3Zr from its initial metastable crystal structure L12 into its stable, tetragonal structure D023 is associated with faster coherency loss and the coarsening of Al3Zr particles. In this regard, our study aims at identifying ternary elements that can disrupt this mechanism. For this purpose, nine ternary Al-Zr-X alloys (Er, Sc, Hf, Y, Nb, Mn, Cu, Zn and Si) plus a base alloy (Al-Zr) were produced. Isochronal aging was performed at 475 °C and 550 °C, and an investigation of the particle landscape was carried out by STEM and HR-TEM. In parallel, we conducted ab initio calculations to investigate fundamental properties of ternary AlZrX-particles such as substitution likeliness, heat of formation and transformation mechanisms. The elements investigated show various behaviors. Fewer than half of the elements (Er, Sc, Hf and Si) are found to be incorporated into Zr-rich particles to any large extent; Er and Sc exhibit the well-known core-shell structure. Y and Zn do not interfere at all with the precipitation process. Nb, Mn and Cu form particles on their own, with Zr particles often attached to them. Concerning crystal structures, all element additions except for Y and Si widen the stability regime of L12.

AB - The formation of Al3Zr particles within dilute aluminum alloys can contribute effectively to controlling microstructure evolution and enhancing material properties. However, the possible transformation of Al3Zr from its initial metastable crystal structure L12 into its stable, tetragonal structure D023 is associated with faster coherency loss and the coarsening of Al3Zr particles. In this regard, our study aims at identifying ternary elements that can disrupt this mechanism. For this purpose, nine ternary Al-Zr-X alloys (Er, Sc, Hf, Y, Nb, Mn, Cu, Zn and Si) plus a base alloy (Al-Zr) were produced. Isochronal aging was performed at 475 °C and 550 °C, and an investigation of the particle landscape was carried out by STEM and HR-TEM. In parallel, we conducted ab initio calculations to investigate fundamental properties of ternary AlZrX-particles such as substitution likeliness, heat of formation and transformation mechanisms. The elements investigated show various behaviors. Fewer than half of the elements (Er, Sc, Hf and Si) are found to be incorporated into Zr-rich particles to any large extent; Er and Sc exhibit the well-known core-shell structure. Y and Zn do not interfere at all with the precipitation process. Nb, Mn and Cu form particles on their own, with Zr particles often attached to them. Concerning crystal structures, all element additions except for Y and Si widen the stability regime of L12.

U2 - 10.1016/j.mtla.2022.101321

DO - 10.1016/j.mtla.2022.101321

M3 - Article

VL - 21.2022

JO - Materialia

JF - Materialia

SN - 2589-1529

IS - March

M1 - 101321

ER -