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Transverse resonant properties of strained gold nanowires

Olsson, Pär LU (2010) In Journal of Applied Physics 108(3).
Abstract
In this work, resonant and elastic properties of single crystal gold nanowires have been studied through classical molecular dynamics simulations. The considered nanowires have perfect square cross sections and are oriented with the [100] direction along the wire axis and with {100} side surfaces. Three different sizes were simulated; 4.08×4.08 nm2, 5.71×5.71 nm2, and 7.34×7.34 nm2 cross sectional dimensions, with the respective unrelaxed lengths 49.0 nm, 68.5 nm, and 88.1 nm and the simulations were performed at two different temperatures, 4.2 K and 300 K. Tensile simulations reveal, that the stiffness decreases with decreasing size, and that the size dependence for nanowires at 4.2 K can be accurately described using the concept of... (More)
In this work, resonant and elastic properties of single crystal gold nanowires have been studied through classical molecular dynamics simulations. The considered nanowires have perfect square cross sections and are oriented with the [100] direction along the wire axis and with {100} side surfaces. Three different sizes were simulated; 4.08×4.08 nm2, 5.71×5.71 nm2, and 7.34×7.34 nm2 cross sectional dimensions, with the respective unrelaxed lengths 49.0 nm, 68.5 nm, and 88.1 nm and the simulations were performed at two different temperatures, 4.2 K and 300 K. Tensile simulations reveal, that the stiffness decreases with decreasing size, and that the size dependence for nanowires at 4.2 K can be accurately described using the concept of surface energy. Comparing results from the resonant simulations reveals that the fundamental eigenfrequency is in good agreement with predictions from Bernoulli–Euler continuum beam theory when the size dependence of the stiffness is taken into account. The eigenfrequencies of the first and second excited modes turn out to be low in comparison with analytical Bernoulli–Euler continuum calculations. (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
continuum mechanics, eigenvalues and eigenfunctions, elastic constants, excited states, gold, molecular dynamics method, nanowires, surface energy, vibrational modes
in
Journal of Applied Physics
volume
108
issue
3
publisher
American Institute of Physics
external identifiers
  • wos:000280941000111
  • scopus:77955866485
ISSN
0021-8979
DOI
10.1063/1.3460127
language
English
LU publication?
yes
id
d1df1204-6aba-48ca-a975-d68bb13e8015 (old id 1652794)
alternative location
http://jap.aip.org/japiau/v108/i3/p034318_s1
date added to LUP
2010-08-19 11:11:21
date last changed
2018-06-17 03:20:40
@article{d1df1204-6aba-48ca-a975-d68bb13e8015,
  abstract     = {In this work, resonant and elastic properties of single crystal gold nanowires have been studied through classical molecular dynamics simulations. The considered nanowires have perfect square cross sections and are oriented with the [100] direction along the wire axis and with {100} side surfaces. Three different sizes were simulated; 4.08×4.08 nm2, 5.71×5.71 nm2, and 7.34×7.34 nm2 cross sectional dimensions, with the respective unrelaxed lengths 49.0 nm, 68.5 nm, and 88.1 nm and the simulations were performed at two different temperatures, 4.2 K and 300 K. Tensile simulations reveal, that the stiffness decreases with decreasing size, and that the size dependence for nanowires at 4.2 K can be accurately described using the concept of surface energy. Comparing results from the resonant simulations reveals that the fundamental eigenfrequency is in good agreement with predictions from Bernoulli–Euler continuum beam theory when the size dependence of the stiffness is taken into account. The eigenfrequencies of the first and second excited modes turn out to be low in comparison with analytical Bernoulli–Euler continuum calculations.},
  articleno    = {034318},
  author       = {Olsson, Pär},
  issn         = {0021-8979},
  keyword      = {continuum mechanics,eigenvalues and eigenfunctions,elastic constants,excited states,gold,molecular dynamics method,nanowires,surface energy,vibrational modes},
  language     = {eng},
  number       = {3},
  publisher    = {American Institute of Physics},
  series       = {Journal of Applied Physics},
  title        = {Transverse resonant properties of strained gold nanowires},
  url          = {http://dx.doi.org/10.1063/1.3460127},
  volume       = {108},
  year         = {2010},
}