Abstract
The behavior of a large-angle boundary in a copper bicry stal under shear loading was studied by molecular dynamics simulation. The object to be studied was the boundary Σ = 5 (210)[001]. It is shown that grain boundary sliding can involve migration of the grain boundary perpendicular to the loading direction. The study covered both boundaries with a perfect symmetric structure and boundaries with a complex symmetric structure. Atomistic mechanisms of grain boundary sliding in the two cases were analyzed. It is found that the grain boundary structure affects the dynamics of the motion. Moreover it is revealed that the grain boundary velocity depends on the value of applied load. The disclosed behavior of grain boundaries under shear deformation can exert an appreciable effect on micro structural changes of material and hence on its properties and peculiarities under loading.
| Original language | English |
|---|---|
| Pages (from-to) | 24-31 |
| Number of pages | 8 |
| Journal | Physical Mesomechanics |
| Volume | 14 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - 2011 |
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Keywords
- Grain boundary
- Molecular dynamics simulation
- Shear deformation
ASJC Scopus subject areas
- Mechanics of Materials
- Materials Science(all)
- Condensed Matter Physics
- Surfaces and Interfaces
Cite this
Atomistic mechanism of grain boundary sliding with the example of a large-angle boundary Σ=5. Molecular dynamics calculation. / Dmitriev, A. I.; Nikonov, A. Yu; Psakhie, S. G.
In: Physical Mesomechanics, Vol. 14, No. 1-2, 2011, p. 24-31.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Atomistic mechanism of grain boundary sliding with the example of a large-angle boundary Σ=5. Molecular dynamics calculation
AU - Dmitriev, A. I.
AU - Nikonov, A. Yu
AU - Psakhie, S. G.
PY - 2011
Y1 - 2011
N2 - The behavior of a large-angle boundary in a copper bicry stal under shear loading was studied by molecular dynamics simulation. The object to be studied was the boundary Σ = 5 (210)[001]. It is shown that grain boundary sliding can involve migration of the grain boundary perpendicular to the loading direction. The study covered both boundaries with a perfect symmetric structure and boundaries with a complex symmetric structure. Atomistic mechanisms of grain boundary sliding in the two cases were analyzed. It is found that the grain boundary structure affects the dynamics of the motion. Moreover it is revealed that the grain boundary velocity depends on the value of applied load. The disclosed behavior of grain boundaries under shear deformation can exert an appreciable effect on micro structural changes of material and hence on its properties and peculiarities under loading.
AB - The behavior of a large-angle boundary in a copper bicry stal under shear loading was studied by molecular dynamics simulation. The object to be studied was the boundary Σ = 5 (210)[001]. It is shown that grain boundary sliding can involve migration of the grain boundary perpendicular to the loading direction. The study covered both boundaries with a perfect symmetric structure and boundaries with a complex symmetric structure. Atomistic mechanisms of grain boundary sliding in the two cases were analyzed. It is found that the grain boundary structure affects the dynamics of the motion. Moreover it is revealed that the grain boundary velocity depends on the value of applied load. The disclosed behavior of grain boundaries under shear deformation can exert an appreciable effect on micro structural changes of material and hence on its properties and peculiarities under loading.
KW - Grain boundary
KW - Molecular dynamics simulation
KW - Shear deformation
UR - http://www.scopus.com/inward/record.url?scp=79955009113&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79955009113&partnerID=8YFLogxK
U2 - 10.1016/j.physme.2011.04.004
DO - 10.1016/j.physme.2011.04.004
M3 - Article
VL - 14
SP - 24
EP - 31
JO - Physical Mesomechanics
JF - Physical Mesomechanics
SN - 1029-9599
IS - 1-2
ER -