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Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure
[Image: see text] Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship with resistivity is poorly understood. Her...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8552493/ https://www.ncbi.nlm.nih.gov/pubmed/34605639 http://dx.doi.org/10.1021/acsnano.1c06367 |
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author | Bishara, Hanna Lee, Subin Brink, Tobias Ghidelli, Matteo Dehm, Gerhard |
author_facet | Bishara, Hanna Lee, Subin Brink, Tobias Ghidelli, Matteo Dehm, Gerhard |
author_sort | Bishara, Hanna |
collection | PubMed |
description | [Image: see text] Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship with resistivity is poorly understood. Here, we perform a systematic study on the resistivity–structure relationship in Cu tilt GBs, employing high-resolution in situ electrical measurements coupled with atomic structure analysis of the GBs. Excess volume and energies of selected GBs are calculated using molecular dynamics simulations. We find a consistent relation between the coincidence site lattice (CSL) type of the GB and its resistivity. The most resistive GBs are in the high range of low-angle GBs (14°–18°) with twice the resistivity of high angle tilt GBs, due to the high dislocation density and corresponding strain fields. Regarding the atomistic structure, GB resistivity approximately correlates with the GB excess volume. Moreover, we show that GB curvature increases resistivity by ∼80%, while phase variations and defects within the same CSL type do not considerably change it. |
format | Online Article Text |
id | pubmed-8552493 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-85524932021-10-29 Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure Bishara, Hanna Lee, Subin Brink, Tobias Ghidelli, Matteo Dehm, Gerhard ACS Nano [Image: see text] Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship with resistivity is poorly understood. Here, we perform a systematic study on the resistivity–structure relationship in Cu tilt GBs, employing high-resolution in situ electrical measurements coupled with atomic structure analysis of the GBs. Excess volume and energies of selected GBs are calculated using molecular dynamics simulations. We find a consistent relation between the coincidence site lattice (CSL) type of the GB and its resistivity. The most resistive GBs are in the high range of low-angle GBs (14°–18°) with twice the resistivity of high angle tilt GBs, due to the high dislocation density and corresponding strain fields. Regarding the atomistic structure, GB resistivity approximately correlates with the GB excess volume. Moreover, we show that GB curvature increases resistivity by ∼80%, while phase variations and defects within the same CSL type do not considerably change it. American Chemical Society 2021-10-04 2021-10-26 /pmc/articles/PMC8552493/ /pubmed/34605639 http://dx.doi.org/10.1021/acsnano.1c06367 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Bishara, Hanna Lee, Subin Brink, Tobias Ghidelli, Matteo Dehm, Gerhard Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure |
title | Understanding
Grain Boundary Electrical Resistivity
in Cu: The Effect of Boundary Structure |
title_full | Understanding
Grain Boundary Electrical Resistivity
in Cu: The Effect of Boundary Structure |
title_fullStr | Understanding
Grain Boundary Electrical Resistivity
in Cu: The Effect of Boundary Structure |
title_full_unstemmed | Understanding
Grain Boundary Electrical Resistivity
in Cu: The Effect of Boundary Structure |
title_short | Understanding
Grain Boundary Electrical Resistivity
in Cu: The Effect of Boundary Structure |
title_sort | understanding
grain boundary electrical resistivity
in cu: the effect of boundary structure |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8552493/ https://www.ncbi.nlm.nih.gov/pubmed/34605639 http://dx.doi.org/10.1021/acsnano.1c06367 |
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