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Molecular dynamic modelling of the combined influence from strain rate and temperature at tensile loading of nanosized single crystal Cu beams

Hansson, P. LU ; Ahadi, A. LU and Melin, S. LU (2022) In Materials Today Communications 31.
Abstract

It is well-known and experimentally confirmed that the mechanical response of small enough structures, with linear measures typically below about 100 nm, differs from the response at macro scale. In addition to size effects, the crystallographic orientation of the material becomes increasingly important at this scale. This paper investigates the combined influence of strain rate and temperature on nanosized, initially defect-free, single crystal Cu beams of square cross-sections subjected to displacement-controlled tensile loading. Additionally, the influence of crystallographic orientation is investigated for loading along the [100], [110] or [111] direction. The simulations performed were 3D molecular dynamic simulations. Both the... (More)

It is well-known and experimentally confirmed that the mechanical response of small enough structures, with linear measures typically below about 100 nm, differs from the response at macro scale. In addition to size effects, the crystallographic orientation of the material becomes increasingly important at this scale. This paper investigates the combined influence of strain rate and temperature on nanosized, initially defect-free, single crystal Cu beams of square cross-sections subjected to displacement-controlled tensile loading. Additionally, the influence of crystallographic orientation is investigated for loading along the [100], [110] or [111] direction. The simulations performed were 3D molecular dynamic simulations. Both the elastic and the plastic behaviours were analysed, and stress-strain curves and dislocation evolution were monitored in detail during loading.

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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Cu nano-beams, Dislocation density, Molecular dynamics, Strain-rate, Temperature influence
in
Materials Today Communications
volume
31
article number
103277
publisher
Elsevier
external identifiers
  • scopus:85124566538
ISSN
2352-4928
DOI
10.1016/j.mtcomm.2022.103277
language
English
LU publication?
yes
additional info
Publisher Copyright: © 2022 The Authors
id
4823ac42-8729-437a-b62c-25dd05d34946
date added to LUP
2022-02-25 21:05:04
date last changed
2022-05-18 15:06:20
@article{4823ac42-8729-437a-b62c-25dd05d34946,
  abstract     = {{<p>It is well-known and experimentally confirmed that the mechanical response of small enough structures, with linear measures typically below about 100 nm, differs from the response at macro scale. In addition to size effects, the crystallographic orientation of the material becomes increasingly important at this scale. This paper investigates the combined influence of strain rate and temperature on nanosized, initially defect-free, single crystal Cu beams of square cross-sections subjected to displacement-controlled tensile loading. Additionally, the influence of crystallographic orientation is investigated for loading along the [100], [110] or [111] direction. The simulations performed were 3D molecular dynamic simulations. Both the elastic and the plastic behaviours were analysed, and stress-strain curves and dislocation evolution were monitored in detail during loading.</p>}},
  author       = {{Hansson, P. and Ahadi, A. and Melin, S.}},
  issn         = {{2352-4928}},
  keywords     = {{Cu nano-beams; Dislocation density; Molecular dynamics; Strain-rate; Temperature influence}},
  language     = {{eng}},
  month        = {{06}},
  publisher    = {{Elsevier}},
  series       = {{Materials Today Communications}},
  title        = {{Molecular dynamic modelling of the combined influence from strain rate and temperature at tensile loading of nanosized single crystal Cu beams}},
  url          = {{http://dx.doi.org/10.1016/j.mtcomm.2022.103277}},
  doi          = {{10.1016/j.mtcomm.2022.103277}},
  volume       = {{31}},
  year         = {{2022}},
}