Grain boundary influence on the mechanical response to tensile loading for nanosized Cu beams modelled by MD simulations
(2020) 9th International Conference on Materials Structure and Micromechanics of Fracture, MSFM 2019 In Procedia Structural Integrity 23. p.137-142- Abstract
- 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... (More)
- 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. (Less)
- Abstract (Swedish)
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/dc2d7388-4dc8-419a-afb4-ca48a0091625
- author
- Melin, Solveig LU ; Hansson, Per LU and Ahadi, Aylin LU
- organization
- publishing date
- 2020
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Grain boundary, single-crystal Cu, Dislocation generation, tensile nano-beams, Molecular dynamics simulations
- in
- Procedia Structural Integrity
- volume
- 23
- pages
- 6 pages
- publisher
- Elsevier
- conference name
- 9th International Conference on Materials Structure and Micromechanics of Fracture, MSFM 2019
- conference location
- Brno, Czech Republic
- conference dates
- 2019-06-26 - 2019-06-28
- external identifiers
-
- scopus:85079419810
- ISSN
- 2452-3216
- DOI
- 10.1016/j.prostr.2020.01.076
- language
- English
- LU publication?
- yes
- id
- dc2d7388-4dc8-419a-afb4-ca48a0091625
- date added to LUP
- 2020-01-24 11:57:18
- date last changed
- 2022-04-18 20:05:13
@article{dc2d7388-4dc8-419a-afb4-ca48a0091625, abstract = {{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.}}, author = {{Melin, Solveig and Hansson, Per and Ahadi, Aylin}}, issn = {{2452-3216}}, keywords = {{Grain boundary; single-crystal Cu; Dislocation generation; tensile nano-beams; Molecular dynamics simulations}}, language = {{eng}}, pages = {{137--142}}, publisher = {{Elsevier}}, series = {{Procedia Structural Integrity}}, title = {{Grain boundary influence on the mechanical response to tensile loading for nanosized Cu beams modelled by MD simulations}}, url = {{http://dx.doi.org/10.1016/j.prostr.2020.01.076}}, doi = {{10.1016/j.prostr.2020.01.076}}, volume = {{23}}, year = {{2020}}, }