Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials

Abstract

A molecular dynamics simulation of the behavior of nanocrystalline materials in the fields of external influences was carried out. Crystallites of the fcc copper and bcc iron under different schemes of mechanical loading were investigated. Revealed specific localized nonequilibrium states served as the mechanism of formation and evolution of partial dislocations in fcc materials and twin growth in bcc materials. These non-equilibrium states were realized on the basis of local transformation of the martensitic type when the nearest surrounding of atoms – the centers of local rearrangements – changed according to the A-B(C) scheme, where A, B and C are types of crystal lattice. The bcc-fcc-bcc local rearrangements during twin growth were typical for bcc iron. The fcc-bcc-hcp and hcp-bcc-fcc local rearrangements during the partial dislocation movement were typical for fcc copper.

Original language	English
Title of host publication	Materials Structure and Micromechanics of Fracture VIII
Editors	Pavel Sandera
Publisher	Trans Tech Publications Ltd
Pages	21-24
Number of pages	4
ISBN (Print)	9783038356264
DOIs	https://doi.org/10.4028/www.scientific.net/SSP.258.21
Publication status	Published - 1 Jul 2017
Event	8th International Conference on Materials Structure and Micromechanics of Fracture, MSMF8 - Brno, Czech Republic Duration: 27 Jul 2016 → 29 Jul 2016

Publication series

Name	Solid State Phenomena
Volume	258 SSP
ISSN (Electronic)	1662-9779

Conference

Conference	8th International Conference on Materials Structure and Micromechanics of Fracture, MSMF8
Country	Czech Republic
City	Brno
Period	27.7.16 → 29.7.16

Keywords

Molecular dynamics
Plastic deformation
Protodefects
Structural changes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Materials Science(all)
Condensed Matter Physics

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Cite this

Kryzhevich, D. S., Korchuganov, A. V., Zolnikov, K. P., & Psakhie, S. G. (2017). Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials. In P. Sandera (Ed.), Materials Structure and Micromechanics of Fracture VIII (pp. 21-24). (Solid State Phenomena; Vol. 258 SSP). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/SSP.258.21

Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials. / Kryzhevich, Dmitrij Sergeevich; Korchuganov, Aleksandr Vyacheslavovich; Zolnikov, Konstantin Petrovich; Psakhie, Sergey Grigorievich.

Materials Structure and Micromechanics of Fracture VIII. ed. / Pavel Sandera. Trans Tech Publications Ltd, 2017. p. 21-24 (Solid State Phenomena; Vol. 258 SSP).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kryzhevich, DS, Korchuganov, AV, Zolnikov, KP & Psakhie, SG 2017, Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials. in P Sandera (ed.), Materials Structure and Micromechanics of Fracture VIII. Solid State Phenomena, vol. 258 SSP, Trans Tech Publications Ltd, pp. 21-24, 8th International Conference on Materials Structure and Micromechanics of Fracture, MSMF8, Brno, Czech Republic, 27.7.16. https://doi.org/10.4028/www.scientific.net/SSP.258.21

Kryzhevich, Dmitrij Sergeevich ; Korchuganov, Aleksandr Vyacheslavovich ; Zolnikov, Konstantin Petrovich ; Psakhie, Sergey Grigorievich. / Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials. Materials Structure and Micromechanics of Fracture VIII. editor / Pavel Sandera. Trans Tech Publications Ltd, 2017. pp. 21-24 (Solid State Phenomena).

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AB - A molecular dynamics simulation of the behavior of nanocrystalline materials in the fields of external influences was carried out. Crystallites of the fcc copper and bcc iron under different schemes of mechanical loading were investigated. Revealed specific localized nonequilibrium states served as the mechanism of formation and evolution of partial dislocations in fcc materials and twin growth in bcc materials. These non-equilibrium states were realized on the basis of local transformation of the martensitic type when the nearest surrounding of atoms – the centers of local rearrangements – changed according to the A-B(C) scheme, where A, B and C are types of crystal lattice. The bcc-fcc-bcc local rearrangements during twin growth were typical for bcc iron. The fcc-bcc-hcp and hcp-bcc-fcc local rearrangements during the partial dislocation movement were typical for fcc copper.

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KW - Plastic deformation

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