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Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys

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Abstract

High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable local lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss electronic origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.

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Acknowledgements

This work was supported by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Part of this research used resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under contract DE-AC05-00OR22725.

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Authors and Affiliations

  1. Joint Institute for Neutron Sciences and Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN, 37996, USA

    T. Egami

  2. Department of Physics and Astronomy, University of Tennessee, Knoxville, TN, 37996, USA

    T. Egami & M. Ojha

  3. Joint Institute for Computational Sciences, University of Tennessee and Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA

    O. Khorgolkhuu

  4. Department of Physics, University of North Carolina Asheville, Asheville, NC, 28804, USA

    D. M. Nicholson

  5. Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA

    T. Egami & G. M. Stocks

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  1. T. Egami
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  2. M. Ojha
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  3. O. Khorgolkhuu
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  4. D. M. Nicholson
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  5. G. M. Stocks
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Correspondence to T. Egami.

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Egami, T., Ojha, M., Khorgolkhuu, O. et al. Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys. JOM 67, 2345–2349 (2015). https://doi.org/10.1007/s11837-015-1579-1

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  • DOI: https://doi.org/10.1007/s11837-015-1579-1

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