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Tensile behaviour of single-crystal nano-sized Cu beams - geometric scaling effects

Ahadi, Aylin LU ; Hansson, Per LU and Melin, Solveig LU (2017) In Computational Materials Science
Abstract
In this paper the mechanical response of single-crystal nano-sized Cu beams of different sizes, loaded in displacement controlled tension under constant strain rate is investigated through 3D molecular dynamic simulations using the free-ware LAMMPS. The effects from pure geometric scaling are determined for two different crystallographic orientations of the lattice. Stress-strain curves were recorded until rupture of the beams and the developments of the atomic arrangements were followed in detail. The elastic parts of the curves showed to be non-linear and that size effects to some extend influenced the elastic and significantly the plastic mechanical response. Further the crystallographic orientation markedly influenced the response to... (More)
In this paper the mechanical response of single-crystal nano-sized Cu beams of different sizes, loaded in displacement controlled tension under constant strain rate is investigated through 3D molecular dynamic simulations using the free-ware LAMMPS. The effects from pure geometric scaling are determined for two different crystallographic orientations of the lattice. Stress-strain curves were recorded until rupture of the beams and the developments of the atomic arrangements were followed in detail. The elastic parts of the curves showed to be non-linear and that size effects to some extend influenced the elastic and significantly the plastic mechanical response. Further the crystallographic orientation markedly influenced the response to mechanical loading. (Less)
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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Computational Materials Science
article number
10.1016/j.commatsci.2017.04.010
pages
8 pages
publisher
Elsevier
ISSN
0927-0256
project
Modelling mechanical properties at nanoscale by molecular dynamics
language
English
LU publication?
yes
id
b74f6f83-7214-425b-910e-55b15cc07fcb
date added to LUP
2017-04-10 13:58:17
date last changed
2021-03-29 22:13:42
@article{b74f6f83-7214-425b-910e-55b15cc07fcb,
  abstract     = {{In this paper the mechanical response of single-crystal nano-sized Cu beams of different sizes, loaded in displacement controlled tension under constant strain rate is investigated through 3D molecular dynamic simulations using the free-ware LAMMPS.  The effects from pure geometric scaling are determined for two different crystallographic orientations of the lattice. Stress-strain curves were recorded until rupture of the beams and the developments of the atomic arrangements were followed in detail. The elastic parts of the curves showed to be non-linear and that size effects to some extend influenced the elastic and significantly the plastic mechanical response. Further the crystallographic orientation markedly influenced the response to mechanical loading.}},
  author       = {{Ahadi, Aylin and Hansson, Per and Melin, Solveig}},
  issn         = {{0927-0256}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Computational Materials Science}},
  title        = {{Tensile behaviour of single-crystal nano-sized Cu beams -  geometric scaling effects}},
  year         = {{2017}},
}