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Atomistic simulations of tensile and bending properties of single-crystal BCC-Iron nanobeams

Olsson, Pär LU ; Melin, Solveig LU and Persson, Christer LU (2007) In Physical Review B (Condensed Matter and Materials Physics) 76(22).
Abstract
In this paper, we report the results of a systematic study of the elastic properties of nanosized single-crystal wires and beams of bcc iron. Both tensile and bending stiffnesses have been determined employing molecular statics simulations for specimens of different sizes and three different crystallographic orientations. We also analyze the influence of circular cross sections and rounded edges compared to square cross sections with sharp edges for one of the crystallographic orientations. The simulations show that there is a size dependence in Young's modulus and that different crystallographic orientations display different elastic behaviors. There are bands of deviating Young's modulus over the cross sections in the direction 45... (More)
In this paper, we report the results of a systematic study of the elastic properties of nanosized single-crystal wires and beams of bcc iron. Both tensile and bending stiffnesses have been determined employing molecular statics simulations for specimens of different sizes and three different crystallographic orientations. We also analyze the influence of circular cross sections and rounded edges compared to square cross sections with sharp edges for one of the crystallographic orientations. The simulations show that there is a size dependence in Young's modulus and that different crystallographic orientations display different elastic behaviors. There are bands of deviating Young's modulus over the cross sections in the direction 45 degrees from the surfaces emanating from the edges, giving the cross section a heterogeneous character. Rounding the edges, or making the cross section circular, has little influence on the average Young's modulus, but it does influence the distribution over the cross section and, consequently, the aforementioned bands. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
76
issue
22
publisher
American Physical Society
external identifiers
  • wos:000251986400034
  • scopus:37649001707
ISSN
1098-0121
DOI
10.1103/PhysRevB.76.224112
language
English
LU publication?
yes
id
acc8e5b1-f10e-4f83-8e23-5c64eb2441aa (old id 783572)
alternative location
http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRBMDO000076000022224112000001&idtype=cvips&prog=normal
date added to LUP
2008-02-08 08:31:14
date last changed
2017-08-27 05:30:20
@article{acc8e5b1-f10e-4f83-8e23-5c64eb2441aa,
  abstract     = {In this paper, we report the results of a systematic study of the elastic properties of nanosized single-crystal wires and beams of bcc iron. Both tensile and bending stiffnesses have been determined employing molecular statics simulations for specimens of different sizes and three different crystallographic orientations. We also analyze the influence of circular cross sections and rounded edges compared to square cross sections with sharp edges for one of the crystallographic orientations. The simulations show that there is a size dependence in Young's modulus and that different crystallographic orientations display different elastic behaviors. There are bands of deviating Young's modulus over the cross sections in the direction 45 degrees from the surfaces emanating from the edges, giving the cross section a heterogeneous character. Rounding the edges, or making the cross section circular, has little influence on the average Young's modulus, but it does influence the distribution over the cross section and, consequently, the aforementioned bands.},
  articleno    = {224112},
  author       = {Olsson, Pär and Melin, Solveig and Persson, Christer},
  issn         = {1098-0121},
  language     = {eng},
  number       = {22},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Atomistic simulations of tensile and bending properties of single-crystal BCC-Iron nanobeams},
  url          = {http://dx.doi.org/10.1103/PhysRevB.76.224112},
  volume       = {76},
  year         = {2007},
}