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Shear anisotropy in Si-Cu interfaces on the atomic scale

Johansson, Dan LU ; Hansson, Per LU ; Ahadi, Aylin LU and Melin, Solveig LU (2019) In Materials Physics and Mechanics 42(5). p.646-655
Abstract

Three dimensional molecular dynamics (MD) is used to model the mechanical response at the interface between a thin Cu coating resting on a base of Si. The copper coating is subjected to a displacement controlled shear load and the atom movements at the Si-Cu interface are monitored to investigate the effects of crystallographic anisotropy. The two crystals have the same crystallographic orientation, and two different interface normal directions are considered. The shear load is applied along different crystallographic directions to highlight the importance of crystallographic orientation for the mechanical response. The simulations are performed with the 3D MD free-ware LAMMPS. As the imposed displacement reaches a high enough... (More)

Three dimensional molecular dynamics (MD) is used to model the mechanical response at the interface between a thin Cu coating resting on a base of Si. The copper coating is subjected to a displacement controlled shear load and the atom movements at the Si-Cu interface are monitored to investigate the effects of crystallographic anisotropy. The two crystals have the same crystallographic orientation, and two different interface normal directions are considered. The shear load is applied along different crystallographic directions to highlight the importance of crystallographic orientation for the mechanical response. The simulations are performed with the 3D MD free-ware LAMMPS. As the imposed displacement reaches a high enough magnitude, the Cu coating starts to slide over the Si base. Thus the atoms at the interface rearrange depending on loading direction and crystallographic orientation.

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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
3D molecular dynamics, Crystallographic anisotropy, Cu-coated Si, Interface reorganazation, Shear induced displacements, Thin layers
in
Materials Physics and Mechanics
volume
42
issue
5
pages
10 pages
publisher
Peter the Great St. Petersburg Polytechnic University
external identifiers
  • scopus:85076422863
ISSN
1605-8119
DOI
10.18720/MPM.4252019_18
language
English
LU publication?
yes
id
43305d12-1220-4b77-ac0e-5652ca34c62c
date added to LUP
2019-11-26 14:23:37
date last changed
2022-04-18 19:17:38
@article{43305d12-1220-4b77-ac0e-5652ca34c62c,
  abstract     = {{<p>Three dimensional molecular dynamics (MD) is used to model the mechanical response at the interface between a thin Cu coating resting on a base of Si. The copper coating is subjected to a displacement controlled shear load and the atom movements at the Si-Cu interface are monitored to investigate the effects of crystallographic anisotropy. The two crystals have the same crystallographic orientation, and two different interface normal directions are considered. The shear load is applied along different crystallographic directions to highlight the importance of crystallographic orientation for the mechanical response. The simulations are performed with the 3D MD free-ware LAMMPS. As the imposed displacement reaches a high enough magnitude, the Cu coating starts to slide over the Si base. Thus the atoms at the interface rearrange depending on loading direction and crystallographic orientation.</p>}},
  author       = {{Johansson, Dan and Hansson, Per and Ahadi, Aylin and Melin, Solveig}},
  issn         = {{1605-8119}},
  keywords     = {{3D molecular dynamics; Crystallographic anisotropy; Cu-coated Si; Interface reorganazation; Shear induced displacements; Thin layers}},
  language     = {{eng}},
  number       = {{5}},
  pages        = {{646--655}},
  publisher    = {{Peter the Great St. Petersburg Polytechnic University}},
  series       = {{Materials Physics and Mechanics}},
  title        = {{Shear anisotropy in Si-Cu interfaces on the atomic scale}},
  url          = {{http://dx.doi.org/10.18720/MPM.4252019_18}},
  doi          = {{10.18720/MPM.4252019_18}},
  volume       = {{42}},
  year         = {{2019}},
}