PSI - Issue 23

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Available online at www.sciencedirect.com Structural Integrity Procedia 00 (2019) 000 – 000 Structural Integrity Procedia 00 (2019) 000 – 000

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Procedia Structural Integrity 23 (2019) 137–142

9th International Conference on Materials Structure and Micromechanics of Fracture Grain boundary influence on the mechanical response to tensile loading for nanosized Cu beams modelled by MD simulations 9th International Conference on Materials Structure and Micromechanics of Fracture Grain boundary influence on the mechanical response to tensile loading for nanosized Cu beams modelled by MD simulations

Solveig Melin*, Per Hansson, Aylin Ahadi Division of Mechanics, Lund University, P.O. Box 22100, Lund, Sweden Solveig Melin*, Per Hansson, Aylin Ahadi Division of Mechanics, Lund University, P.O. Box 22100, Lund, Sweden

Abstract Abstract

© 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers © 2019 Solveig Melin, Per Hansson and Aylin Ahadi. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: Grain boundary; Nanosized Cu-beams; Dislocation generation; Molecular dynamics simulations The influence of grain bound ri s on the mech nical properties of poly-crystalline metals is well kn wn. Here we investi ate the influence from a centrally placed grain boundary in nano-sized beams of Cu subjected to tensile l ading. The crystallographic orientations in the grains are [100], [110] and [111]. The investigation is performed by means of molecular dynamic simulation employing th molecular dy amics free-ware LAMMPS. The Influence of the grain boundary was found to be subst nti l as compa ed to equally sized single grain ams. The grain boundary forced earli plastic initiation and earlie ruptures i all cas s. Further, e of the grains sh wed to be preferr d as regards dislocation generation and slip. Also a clear correlation between dislocation density and variations in the axial stress – axial strain curve was found. © 2019 Solveig Melin, Per Ha sson and Aylin Ahadi. Published by Elsevier B.V. This is an ope acces article under CC BY-NC-ND lic nse (http://creativecommon .org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: Grain boundary; Nanosized Cu-beams; Dislocation generation; Molecular dynamics simulations The influence of grain boundaries on the mechanical properties of poly-crystalline metals is well known. Here we investigate the influence from a centrally placed grain boundary in nano-sized beams of Cu subjected to tensile loading. The crystallographic orientations in the grains are [100], [110] and [111]. The investigation is performed by means of molecular dynamic simulations employing the molecular dynamics free-ware LAMMPS. The Influence of the grain boundary was found to be substantial as compared to equally sized single grain beams. The grain boundary forced earlier plastic initiation and earlier ruptures in all cases. Further, one of the grains showed to be preferred as regards dislocation generation and slip. Also a clear correlation between dislocation density and variations in the axial stress – axial strain curve was found. 1. Introduction High technology metallic components with dimensions measured in nanometers are today a natural part of our everyday life and are found in electronic components as well as in medical devices. It is well known that, as the linear measures of metallic structures decrease down to the nanometer range, the response to mechanical loading 1. Introduction High technology metallic compone ts with dimen ions measured in nanom ters are today a natural p rt of our ev ryday life and are found in electronic components as w ll as in medical devices. It i well know that, s the linear measures of metallic structures decrease down to the nanometer range, the response to mechanical loading

* Corresponding author. Tel.: +46-462223037. E-mail address: solveig.melin@mek.lth.se * Corresponding author. Tel.: +46-462223037. E-mail address: solveig.melin@mek.lth.se

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. 2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers.

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers 10.1016/j.prostr.2020.01.076