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  Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure

Bishara, H., Lee, S., Brink, T., Ghidelli, M., & Dehm, G. (2021). Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure. ACS Nano, 15(10), 16607-16615. doi:10.1021/acsnano.1c06367.

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Understanding Grain Boundary Electrical Resistivity in Cu_ The Effect of Boundary Structure - acsnano.pdf (Publisher version), 5MB
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Understanding Grain Boundary Electrical Resistivity in Cu_ The Effect of Boundary Structure - acsnano.pdf
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 Creators:
Bishara, Hanna1, Author           
Lee, Subin2, 3, Author           
Brink, Tobias4, Author           
Ghidelli, Matteo5, 6, Author           
Dehm, Gerhard1, Author           
Affiliations:
1Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863398              
2Advanced Transmission Electron Microscopy, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863399              
3Institute for Applied Materials (IAM), Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany, ou_persistent22              
4Atomistic Modelling of Material Interfaces, Project Groups, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_3291845              
5Laboratoire des Sciences des Procédés et des Matériaux (LSPM), CNRS, Université Sorbonne Paris Nord, 93430 Villetaneuse, France, ou_persistent22              
6Thin Films and Nanostructured Materials, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_3274276              

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Free keywords: Copper; Crystal lattices; Electric conductivity; Molecular dynamics, Atomic arrangement; Boundary structure; Coincidence site lattices; Excess volume; Grain boundary structure; Grain interiors; Grain-boundaries; Lattice type; Systematic study; Tilt grain boundary, Grain boundaries
 Abstract: 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. © 2021 The Authors. Published by American Chemical Society.

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Language(s): eng - English
 Dates: 2021-10-26
 Publication Status: Published in print
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 Identifiers: DOI: 10.1021/acsnano.1c06367
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Title: ACS Nano
  Other : ACS Nano
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 15 (10) Sequence Number: - Start / End Page: 16607 - 16615 Identifier: ISSN: 1936-0851
CoNE: https://pure.mpg.de/cone/journals/resource/1936-0851