Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation

The paper studies the stress-strain and fracture behaviour of nanocrystalline (NC) pure Al and NC binary Al-X alloys (X can be Fe, Co, Ti, Mg or Pb) with grain boundary (GB) segregation during their tensile deformation at room temperature via molecular dynamics simulation. The computational cell use...

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Main Authors: Dmitriev, S. V., Stolyarov, V. V., Babicheva, Rita I., Zhou, Kun
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2019
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Online Access:https://hdl.handle.net/10356/90083
http://hdl.handle.net/10220/49422
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-900832023-03-04T17:17:27Z Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation Dmitriev, S. V. Stolyarov, V. V. Babicheva, Rita I. Zhou, Kun School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Molecular Dynamics Nanocrystalline Aluminium The paper studies the stress-strain and fracture behaviour of nanocrystalline (NC) pure Al and NC binary Al-X alloys (X can be Fe, Co, Ti, Mg or Pb) with grain boundary (GB) segregation during their tensile deformation at room temperature via molecular dynamics simulation. The computational cell used for the modeling contains nano-sized grains of Al majority of which has the high-angle type GBs. The binary alloys were obtained through the substitution of Al atoms in GBs by atoms of the alloying elements. Stress-strain curves of the considered materials were calculated, and their microstructure evolution was analyzed. It was found that GB segregations can significantly alter the deformation behaviour of NC Al. The NC pure Al and two alloys, Al with Fe and Al with Mg, undergo the intergranular fracture which is noticeable already at ~ 8 % strain, while the other alloys do not demonstrate any failure process up to 40 % deformation. The main crack growth mechanism is the formation of nano-voids at GBs and triple junctions followed by their coalescence at higher applied stresses. The obtained results demonstrate that GB segregation of Co can have a positive effect on both plasticity and strength of NC Al, and Ti atoms in GBs can result in its improved ductility. Published version 2019-07-18T04:09:32Z 2019-12-06T17:40:17Z 2019-07-18T04:09:32Z 2019-12-06T17:40:17Z 2017 Journal Article Babicheva, R. I., Dmitriev, S. V., Stolyarov, V. V., & Zhou, K. (2017). Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation. Letters on Materials, 7(4), 428-432. doi:10.22226/2410-3535-2017-4-428-432 2218-5046 https://hdl.handle.net/10356/90083 http://hdl.handle.net/10220/49422 10.22226/2410-3535-2017-4-428-432 en Letters on Materials © 2017 Institute for Metals Superplasticity Problems of Russian Academy of Sciences. This is an open-access article distributed under the terms of the Creative Commons Attribution License. 5 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Mechanical engineering
Molecular Dynamics
Nanocrystalline Aluminium
spellingShingle Engineering::Mechanical engineering
Molecular Dynamics
Nanocrystalline Aluminium
Dmitriev, S. V.
Stolyarov, V. V.
Babicheva, Rita I.
Zhou, Kun
Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
description The paper studies the stress-strain and fracture behaviour of nanocrystalline (NC) pure Al and NC binary Al-X alloys (X can be Fe, Co, Ti, Mg or Pb) with grain boundary (GB) segregation during their tensile deformation at room temperature via molecular dynamics simulation. The computational cell used for the modeling contains nano-sized grains of Al majority of which has the high-angle type GBs. The binary alloys were obtained through the substitution of Al atoms in GBs by atoms of the alloying elements. Stress-strain curves of the considered materials were calculated, and their microstructure evolution was analyzed. It was found that GB segregations can significantly alter the deformation behaviour of NC Al. The NC pure Al and two alloys, Al with Fe and Al with Mg, undergo the intergranular fracture which is noticeable already at ~ 8 % strain, while the other alloys do not demonstrate any failure process up to 40 % deformation. The main crack growth mechanism is the formation of nano-voids at GBs and triple junctions followed by their coalescence at higher applied stresses. The obtained results demonstrate that GB segregation of Co can have a positive effect on both plasticity and strength of NC Al, and Ti atoms in GBs can result in its improved ductility.
author2 School of Mechanical and Aerospace Engineering
author_facet School of Mechanical and Aerospace Engineering
Dmitriev, S. V.
Stolyarov, V. V.
Babicheva, Rita I.
Zhou, Kun
format Article
author Dmitriev, S. V.
Stolyarov, V. V.
Babicheva, Rita I.
Zhou, Kun
author_sort Dmitriev, S. V.
title Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
title_short Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
title_full Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
title_fullStr Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
title_full_unstemmed Plastic and fracture behaviour of nanocrystalline binary Al alloys with grain boundary segregation
title_sort plastic and fracture behaviour of nanocrystalline binary al alloys with grain boundary segregation
publishDate 2019
url https://hdl.handle.net/10356/90083
http://hdl.handle.net/10220/49422
_version_ 1759855390442389504