Defect recovery processes in Cr-B binary and Cr-Al-B MAB phases: structure-dependent radiation tolerance

Jun Young Kim; Hongliang Zhang; Ranran Su; Jianqi Xi; Shuguang Wei; Peter Richardson; Longfei Liu; Erich Kisi; John H. Perepezko; Izabela Szlufarska

doi:10.1016/j.actamat.2022.118099

Defect recovery processes in Cr-B binary and Cr-Al-B MAB phases: structure-dependent radiation tolerance

Jun Young Kim, Hongliang Zhang, Ranran Su, Jianqi Xi, Shuguang Wei, Peter Richardson, Longfei Liu, Erich Kisi, John H. Perepezko, Izabela Szlufarska

Research output: Contribution to journal › Article › peer-review

Abstract

We have investigated the radiation tolerance of Cr-B binaries and Cr-Al-B ternary MAB phases using a combination of ab initio calculations and experiments. One key discovery is that Cr₃AlB₄ has excellent resistance to radiation-induced amorphization, and therefore it is a promising material for applications in extreme environments. We also demonstrate that both the type of B network and the presence of Al layer in the structure have important implications for defect kinetics. We find that the order of the tolerance to radiation-induced amorphization is, from high to low, CrB, Cr₃AlB₄, Cr₃B₄, Cr₄AlB₆, and Cr₂AlB₂ at 150 °C and 0.5 dpa, and Cr₃AlB₄, CrB, Cr₃B₄, Cr₄AlB₆, and Cr₂AlB₂ at 300 °C and 1.0 dpa. The results are explained in terms of defect properties determined from ab initio calculations.

Original language	English (US)
Article number	118099
Journal	Acta Materialia
Volume	235
DOIs	https://doi.org/10.1016/j.actamat.2022.118099
State	Published - Aug 15 2022
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Polymers and Plastics
Metals and Alloys

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10.1016/j.actamat.2022.118099

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title = "Defect recovery processes in Cr-B binary and Cr-Al-B MAB phases: structure-dependent radiation tolerance",

abstract = "We have investigated the radiation tolerance of Cr-B binaries and Cr-Al-B ternary MAB phases using a combination of ab initio calculations and experiments. One key discovery is that Cr3AlB4 has excellent resistance to radiation-induced amorphization, and therefore it is a promising material for applications in extreme environments. We also demonstrate that both the type of B network and the presence of Al layer in the structure have important implications for defect kinetics. We find that the order of the tolerance to radiation-induced amorphization is, from high to low, CrB, Cr3AlB4, Cr3B4, Cr4AlB6, and Cr2AlB2 at 150 °C and 0.5 dpa, and Cr3AlB4, CrB, Cr3B4, Cr4AlB6, and Cr2AlB2 at 300 °C and 1.0 dpa. The results are explained in terms of defect properties determined from ab initio calculations.",

author = "Kim, {Jun Young} and Hongliang Zhang and Ranran Su and Jianqi Xi and Shuguang Wei and Peter Richardson and Longfei Liu and Erich Kisi and Perepezko, {John H.} and Izabela Szlufarska",

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year = "2022",

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doi = "10.1016/j.actamat.2022.118099",

language = "English (US)",

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T1 - Defect recovery processes in Cr-B binary and Cr-Al-B MAB phases

T2 - structure-dependent radiation tolerance

AU - Kim, Jun Young

AU - Zhang, Hongliang

AU - Su, Ranran

AU - Xi, Jianqi

AU - Wei, Shuguang

AU - Richardson, Peter

AU - Liu, Longfei

AU - Kisi, Erich

AU - Perepezko, John H.

AU - Szlufarska, Izabela

PY - 2022/8/15

Y1 - 2022/8/15

N2 - We have investigated the radiation tolerance of Cr-B binaries and Cr-Al-B ternary MAB phases using a combination of ab initio calculations and experiments. One key discovery is that Cr3AlB4 has excellent resistance to radiation-induced amorphization, and therefore it is a promising material for applications in extreme environments. We also demonstrate that both the type of B network and the presence of Al layer in the structure have important implications for defect kinetics. We find that the order of the tolerance to radiation-induced amorphization is, from high to low, CrB, Cr3AlB4, Cr3B4, Cr4AlB6, and Cr2AlB2 at 150 °C and 0.5 dpa, and Cr3AlB4, CrB, Cr3B4, Cr4AlB6, and Cr2AlB2 at 300 °C and 1.0 dpa. The results are explained in terms of defect properties determined from ab initio calculations.

AB - We have investigated the radiation tolerance of Cr-B binaries and Cr-Al-B ternary MAB phases using a combination of ab initio calculations and experiments. One key discovery is that Cr3AlB4 has excellent resistance to radiation-induced amorphization, and therefore it is a promising material for applications in extreme environments. We also demonstrate that both the type of B network and the presence of Al layer in the structure have important implications for defect kinetics. We find that the order of the tolerance to radiation-induced amorphization is, from high to low, CrB, Cr3AlB4, Cr3B4, Cr4AlB6, and Cr2AlB2 at 150 °C and 0.5 dpa, and Cr3AlB4, CrB, Cr3B4, Cr4AlB6, and Cr2AlB2 at 300 °C and 1.0 dpa. The results are explained in terms of defect properties determined from ab initio calculations.

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Defect recovery processes in Cr-B binary and Cr-Al-B MAB phases: structure-dependent radiation tolerance

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