Abstract
The work is a molecular dynamics study of the peculiarities of local structural transformations in a copper crystallite at the atomic level in contact interaction of various types: shear loading of perfectly conjugate surfaces, local shear loading and nanoindentation. Interatomic interaction is described in the framework of the embedded atom method. It is shown that initial accommodation of the loaded crystallite proceeds through local structural transformations giving rise to higher-rank defects such as dislocations, stacking faults, interfaces, etc. In further plastic deformation, the structural defects propagate from the contact zone to the crystallite bulk. The egress of structural defects to a free surface causes deformation of the model crystallite. The deformation pattern can evolve, depending on the loading conditions, with a change in crystallographic orientation of the crystallite near the contact zone, generation of misoriented nano-sized regions, and eventually formation of a stable nanostructural state. The obtained results allow conceptually new understanding of the nature of defect generation in a crystalline structure during the nucleation and development of plastic deformation in loaded materials.
| Original language | English |
|---|---|
| Pages (from-to) | 147-154 |
| Number of pages | 8 |
| Journal | Physical Mesomechanics |
| Volume | 15 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - 2012 |
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Keywords
- contact interaction
- local structural transformations
- molecular dynamics
- nanoindentation
- plastic deformation
ASJC Scopus subject areas
- Mechanics of Materials
- Materials Science(all)
- Condensed Matter Physics
- Surfaces and Interfaces
Cite this
Local structural transformations in the fcc lattice in various contact interaction. Molecular dynamics study. / Psakhie, S. G.; Zolnikov, K. P.; Dmitriev, A. I.; Kryzhevich, D. S.; Nikonov, A. Yu.
In: Physical Mesomechanics, Vol. 15, No. 3-4, 2012, p. 147-154.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Local structural transformations in the fcc lattice in various contact interaction. Molecular dynamics study
AU - Psakhie, S. G.
AU - Zolnikov, K. P.
AU - Dmitriev, A. I.
AU - Kryzhevich, D. S.
AU - Nikonov, A. Yu.
PY - 2012
Y1 - 2012
N2 - The work is a molecular dynamics study of the peculiarities of local structural transformations in a copper crystallite at the atomic level in contact interaction of various types: shear loading of perfectly conjugate surfaces, local shear loading and nanoindentation. Interatomic interaction is described in the framework of the embedded atom method. It is shown that initial accommodation of the loaded crystallite proceeds through local structural transformations giving rise to higher-rank defects such as dislocations, stacking faults, interfaces, etc. In further plastic deformation, the structural defects propagate from the contact zone to the crystallite bulk. The egress of structural defects to a free surface causes deformation of the model crystallite. The deformation pattern can evolve, depending on the loading conditions, with a change in crystallographic orientation of the crystallite near the contact zone, generation of misoriented nano-sized regions, and eventually formation of a stable nanostructural state. The obtained results allow conceptually new understanding of the nature of defect generation in a crystalline structure during the nucleation and development of plastic deformation in loaded materials.
AB - The work is a molecular dynamics study of the peculiarities of local structural transformations in a copper crystallite at the atomic level in contact interaction of various types: shear loading of perfectly conjugate surfaces, local shear loading and nanoindentation. Interatomic interaction is described in the framework of the embedded atom method. It is shown that initial accommodation of the loaded crystallite proceeds through local structural transformations giving rise to higher-rank defects such as dislocations, stacking faults, interfaces, etc. In further plastic deformation, the structural defects propagate from the contact zone to the crystallite bulk. The egress of structural defects to a free surface causes deformation of the model crystallite. The deformation pattern can evolve, depending on the loading conditions, with a change in crystallographic orientation of the crystallite near the contact zone, generation of misoriented nano-sized regions, and eventually formation of a stable nanostructural state. The obtained results allow conceptually new understanding of the nature of defect generation in a crystalline structure during the nucleation and development of plastic deformation in loaded materials.
KW - contact interaction
KW - local structural transformations
KW - molecular dynamics
KW - nanoindentation
KW - plastic deformation
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U2 - 10.1134/S1029959912020026
DO - 10.1134/S1029959912020026
M3 - Article
VL - 15
SP - 147
EP - 154
JO - Physical Mesomechanics
JF - Physical Mesomechanics
SN - 1029-9599
IS - 3-4
ER -