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Stress analysis around a through crack shaped void in a single crystal copper strip coated on an infinitely stiff material using molecular dynamics

Johansson, Dan LU ; Hansson, Per LU and Melin, Solveig LU (2014) In Engineering Fracture Mechanics 116. p.58-68
Abstract
A small rectangular strip of fcc Cu, containing a through crack on the nanoscale and subjected to loading under displacement control, is simulated using molecular dynamics (MD). The geometry is highly constrained and chosen to mimic that of a thin film between two stiff layers. The Lennard Jones pair potential is used for the inter-atomic forces. The centrally placed crack-shaped void is created by removing a few atoms inside the strip. The crack is loaded perpendicular to the crack plane and the variation of the tensile stress is studied. Also the elastic response for an uncracked strip is simulated using the same loading conditions. Comparisons with finite element (FE) calculations are made and the aim is to find a limit in model size... (More)
A small rectangular strip of fcc Cu, containing a through crack on the nanoscale and subjected to loading under displacement control, is simulated using molecular dynamics (MD). The geometry is highly constrained and chosen to mimic that of a thin film between two stiff layers. The Lennard Jones pair potential is used for the inter-atomic forces. The centrally placed crack-shaped void is created by removing a few atoms inside the strip. The crack is loaded perpendicular to the crack plane and the variation of the tensile stress is studied. Also the elastic response for an uncracked strip is simulated using the same loading conditions. Comparisons with finite element (FE) calculations are made and the aim is to find a limit in model size beneath which the FE solutions and linear elastic fracture mechanics (LEFM) lose their accuracy. (C) 2013 Elsevier Ltd. All rights reserved. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Molecular dynamics simulations, Lennard-Jones, Fracture mechanics
in
Engineering Fracture Mechanics
volume
116
pages
58 - 68
publisher
Elsevier
external identifiers
  • wos:000332497200005
  • scopus:84895060246
ISSN
1873-7315
DOI
10.1016/j.engfracmech.2013.11.017
language
English
LU publication?
yes
id
8ba1a7b4-2b1e-43c5-a662-0248a04a24dc (old id 4417465)
date added to LUP
2014-04-30 10:51:08
date last changed
2017-08-13 04:05:34
@article{8ba1a7b4-2b1e-43c5-a662-0248a04a24dc,
  abstract     = {A small rectangular strip of fcc Cu, containing a through crack on the nanoscale and subjected to loading under displacement control, is simulated using molecular dynamics (MD). The geometry is highly constrained and chosen to mimic that of a thin film between two stiff layers. The Lennard Jones pair potential is used for the inter-atomic forces. The centrally placed crack-shaped void is created by removing a few atoms inside the strip. The crack is loaded perpendicular to the crack plane and the variation of the tensile stress is studied. Also the elastic response for an uncracked strip is simulated using the same loading conditions. Comparisons with finite element (FE) calculations are made and the aim is to find a limit in model size beneath which the FE solutions and linear elastic fracture mechanics (LEFM) lose their accuracy. (C) 2013 Elsevier Ltd. All rights reserved.},
  author       = {Johansson, Dan and Hansson, Per and Melin, Solveig},
  issn         = {1873-7315},
  keyword      = {Molecular dynamics simulations,Lennard-Jones,Fracture mechanics},
  language     = {eng},
  pages        = {58--68},
  publisher    = {Elsevier},
  series       = {Engineering Fracture Mechanics},
  title        = {Stress analysis around a through crack shaped void in a single crystal copper strip coated on an infinitely stiff material using molecular dynamics},
  url          = {http://dx.doi.org/10.1016/j.engfracmech.2013.11.017},
  volume       = {116},
  year         = {2014},
}