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  Atomistically motivated interface model to account for coupled plasticity and damage at grain boundaries

Rezaei, S., Jaworek, D., Mianroodi, J. R., Wulfinghoff, S., & Reese, S. (2019). Atomistically motivated interface model to account for coupled plasticity and damage at grain boundaries. Journal of the Mechanics and Physics of Solids, 124, 325-349. doi:10.1016/j.jmps.2018.10.015.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-4096-B Version Permalink: http://hdl.handle.net/21.11116/0000-0003-409B-6
Genre: Journal Article

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 Creators:
Rezaei, Shahed1, Author              
Jaworek, David1, Author              
Mianroodi, Jaber Rezaei2, 3, Author              
Wulfinghoff, Stephan4, Author              
Reese, Stefanie5, Author              
Affiliations:
1Institute of Applied Mechanics, RWTH Aachen University, Aachen, D-52074, Germany, ou_persistent22              
2Theory and Simulation, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863392              
3Material Mechanics, RWTH Aachen University, Schinkelstr. 2, Aachen, Germany, ou_persistent22              
4Institute of Applied Mechanics, RWTH Aachen University, D-52074 Aachen, Germany, ou_persistent22              
5Institute of Applied Mechanics, RWTH Aachen University, Aachen, Germany, ou_persistent22              

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 Abstract: Grain boundary (GB) characteristics play an important role in the determination and prediction of material behavior, especially when it comes to nanocrystalline metals and ceramics. The main goal of this work is to develop a general interface model to accurately incorporate grain boundary sliding as well as intergranular fracture as two main phenomena in characterizing the grain boundary. To gain a deeper insight into the behavior of different grain boundaries, molecular dynamics (MD) simulations are utilized for mode I and mode II loadings. By adding the unloading path to the MD simulations it was possible to differentiate between different active mechanisms at the GB. Current MD investigations motivate a model which accounts for anisotropic plasticity and damage within the grain boundary to capture the complex interface behavior. Therefore, a two-surface formulation is utilized in which damage and plasticity at the interface are coupled in a thermodynamically consistent way. The parameters for the introduced interface model are determined using the MD simulations based on an embedded atom potential. Finally, the calibrated interface model is implemented into a cohesive zone (CZ) element. In order to show the applicability of the proposed interface model, several numerical studies are carried out. A volume element is selected which depicts a point in an arbitrary polycrystalline material at the macroscale. The results of these studies reveal interesting behaviors of the selected volume element which can be used, e.g., to determine the parameters of a continuum damage model at the macroscale. © 2018 Elsevier Ltd

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Language(s): eng - English
 Dates: 2019-03
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1016/j.jmps.2018.10.015
 Degree: -

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Title: Journal of the Mechanics and Physics of Solids
  Abbreviation : J. Mech. Phys. Solids
Source Genre: Journal
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Publ. Info: London : Pergamon
Pages: - Volume / Issue: 124 Sequence Number: - Start / End Page: 325 - 349 Identifier: ISSN: 0022-5096
CoNE: https://pure.mpg.de/cone/journals/resource/954925419037