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 | |
| 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 |
Fingerprint
Keywords
- Molecular dynamics
- Plastic deformation
- Protodefects
- Structural changes
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Materials Science(all)
- Condensed Matter Physics
Cite this
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
}
TY - GEN
T1 - Role of localized non-equilibrium states in nucleation of plastic deformation in nanocrystalline materials
AU - Kryzhevich, Dmitrij Sergeevich
AU - Korchuganov, Aleksandr Vyacheslavovich
AU - Zolnikov, Konstantin Petrovich
AU - Psakhie, Sergey Grigorievich
PY - 2017/7/1
Y1 - 2017/7/1
N2 - 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.
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.
KW - Molecular dynamics
KW - Plastic deformation
KW - Protodefects
KW - Structural changes
UR - http://www.scopus.com/inward/record.url?scp=85009808444&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85009808444&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/SSP.258.21
DO - 10.4028/www.scientific.net/SSP.258.21
M3 - Conference contribution
AN - SCOPUS:85009808444
SN - 9783038356264
T3 - Solid State Phenomena
SP - 21
EP - 24
BT - Materials Structure and Micromechanics of Fracture VIII
A2 - Sandera, Pavel
PB - Trans Tech Publications Ltd
ER -