Abstract
This paper reports on a molecular dynamics study of structural rearrangements in a copper nanocrystal during nucleation of plastic deformation under uniaxial tension. The study shows that the resulting nucleation of partial dislocations on the free surface and their glide occurs through local fcc→bcc→hcp transformations via consistent atomic displacements. We propose an atomic model for the generation of dislocations and twins based on local reversible fcc→bcc→fcc transformations, with the reverse one proceeding through an alternative system. The model gives an insight into possible causes and mechanisms of the generation of partial dislocations and mechanical twins in two and more adjacent planes of plastically deformed nanocrystals. The obtained data allow a better understanding of how plasticity is generated in nanostructured materials.
| Original language | English |
|---|---|
| Pages (from-to) | 201-206 |
| Number of pages | 6 |
| Journal | Journal of Materials Science and Technology |
| Volume | 35 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 1 Jan 2019 |
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Keywords
- Atomic model
- Dislocation
- Lattice defects
- Molecular dynamics simulations
- Nanotwin
ASJC Scopus subject areas
- Ceramics and Composites
- Mechanics of Materials
- Mechanical Engineering
- Polymers and Plastics
- Metals and Alloys
- Materials Chemistry
Cite this
Nucleation of dislocations and twins in fcc nanocrystals : Dynamics of structural transformations. / Korchuganov, Aleksandr V.; Tyumentsev, Aleksandr N.; Zolnikov, Konstantin P.; Litovchenko, Igor Yu; Kryzhevich, Dmitrij S.; Gutmanas, Elazar; Li, Shouxin; Wang, Zhongguang; Psakhie, Sergey G.
In: Journal of Materials Science and Technology, Vol. 35, No. 1, 01.01.2019, p. 201-206.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Nucleation of dislocations and twins in fcc nanocrystals
T2 - Dynamics of structural transformations
AU - Korchuganov, Aleksandr V.
AU - Tyumentsev, Aleksandr N.
AU - Zolnikov, Konstantin P.
AU - Litovchenko, Igor Yu
AU - Kryzhevich, Dmitrij S.
AU - Gutmanas, Elazar
AU - Li, Shouxin
AU - Wang, Zhongguang
AU - Psakhie, Sergey G.
PY - 2019/1/1
Y1 - 2019/1/1
N2 - This paper reports on a molecular dynamics study of structural rearrangements in a copper nanocrystal during nucleation of plastic deformation under uniaxial tension. The study shows that the resulting nucleation of partial dislocations on the free surface and their glide occurs through local fcc→bcc→hcp transformations via consistent atomic displacements. We propose an atomic model for the generation of dislocations and twins based on local reversible fcc→bcc→fcc transformations, with the reverse one proceeding through an alternative system. The model gives an insight into possible causes and mechanisms of the generation of partial dislocations and mechanical twins in two and more adjacent planes of plastically deformed nanocrystals. The obtained data allow a better understanding of how plasticity is generated in nanostructured materials.
AB - This paper reports on a molecular dynamics study of structural rearrangements in a copper nanocrystal during nucleation of plastic deformation under uniaxial tension. The study shows that the resulting nucleation of partial dislocations on the free surface and their glide occurs through local fcc→bcc→hcp transformations via consistent atomic displacements. We propose an atomic model for the generation of dislocations and twins based on local reversible fcc→bcc→fcc transformations, with the reverse one proceeding through an alternative system. The model gives an insight into possible causes and mechanisms of the generation of partial dislocations and mechanical twins in two and more adjacent planes of plastically deformed nanocrystals. The obtained data allow a better understanding of how plasticity is generated in nanostructured materials.
KW - Atomic model
KW - Dislocation
KW - Lattice defects
KW - Molecular dynamics simulations
KW - Nanotwin
UR - http://www.scopus.com/inward/record.url?scp=85054793826&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85054793826&partnerID=8YFLogxK
U2 - 10.1016/j.jmst.2018.09.025
DO - 10.1016/j.jmst.2018.09.025
M3 - Article
VL - 35
SP - 201
EP - 206
JO - Journal of Materials Science and Technology
JF - Journal of Materials Science and Technology
SN - 1005-0302
IS - 1
ER -