Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Daniel Vizoso; Maria Kosmidou; T. John Balk; Khalid Hattar; Chaitanya Deo; Rémi Dingreville

doi:10.1016/j.actamat.2021.117018

Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Daniel Vizoso, Maria Kosmidou, T. John Balk, Khalid Hattar, Chaitanya Deo, Rémi Dingreville

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

6 Scopus citations

Abstract

Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Taken together, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

Original language	English
Article number	117018
Journal	Acta Materialia
Volume	215
DOIs	https://doi.org/10.1016/j.actamat.2021.117018
State	Published - Aug 15 2021

Bibliographical note

Funding Information:
The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

Funding Information:
The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC. a wholly owned subsidiary of Honeywell International, Inc. for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

Publisher Copyright:
© 2021 Acta Materialia Inc.

Keywords

Atomistic simulation
In-situ ion irradiation
Nanoporous materials
Nanowires
Phase transformation
Radiation damage

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.2021.117018

Cite this

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title = "Size-dependent radiation damage mechanisms in nanowires and nanoporous structures",

abstract = "Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Taken together, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.",

keywords = "Atomistic simulation, In-situ ion irradiation, Nanoporous materials, Nanowires, Phase transformation, Radiation damage",

author = "Daniel Vizoso and Maria Kosmidou and Balk, {T. John} and Khalid Hattar and Chaitanya Deo and R{\'e}mi Dingreville",

note = "Funding Information: The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government. Funding Information: The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC. a wholly owned subsidiary of Honeywell International, Inc. for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government. Publisher Copyright: {\textcopyright} 2021 Acta Materialia Inc.",

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doi = "10.1016/j.actamat.2021.117018",

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T1 - Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

AU - Vizoso, Daniel

AU - Kosmidou, Maria

AU - Balk, T. John

AU - Hattar, Khalid

AU - Deo, Chaitanya

AU - Dingreville, Rémi

N1 - Funding Information: The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government. Funding Information: The authors would like to thank B.L. Boyce, Z. Milne, E.Y. Chen, and C. Kunka from Sandia National Laboratories for insightful discussions and comments on this work. R.D. and K.H. are supported by the United States (U.S.) Department of Energy (DOE) Office of Basic Energy Sciences (BES), Department of Materials Science and Engineering. This work was supported in part by the Center for Integrated Nanotechnologies, an Office of Science user facility operated for the U.S. Department of Energy. D.V. and C.D. are also supported through the Sandia Academic Alliance (SAA) Program. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC. a wholly owned subsidiary of Honeywell International, Inc. for the U.S. Department of Energy National Nuclear Security Administration under contract DE-NA0003525. The views expressed in the article do not necessarily represent the views of the U.S. Department of Energy or the United States Government. Publisher Copyright: © 2021 Acta Materialia Inc.

PY - 2021/8/15

Y1 - 2021/8/15

N2 - Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Taken together, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

AB - Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Taken together, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

KW - Atomistic simulation

KW - In-situ ion irradiation

KW - Nanoporous materials

KW - Nanowires

KW - Phase transformation

KW - Radiation damage

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Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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