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Strain Rate Effects on Tensile and Compression Behavior of Nano-crystalline Nanoporous Gold: A Molecular Dynamic Study

Yildiz, Yunus LU ; Ahadi, Aylin LU and Kirca, Mesut (2020) In Mechanics of Materials 143.
Abstract
In this study, strain rate effects on the tensile and compressive properties of nano-crystalline nanoporous gold (nc-NPAu) are investigated by performing molecular dynamics simulations. For this purpose, atomistic models of nc-NPAu structures with three different grain sizes are generated through a novel modeling technique based on the Voronoi tessellation method. Additionally, an adaptive common neighbor analysis (aCNA) is carried out to examine the evolution of the crystal structure. In this way, the deformation mechanisms of nc-NPAu atomistic models are thoroughly investigated. The findings point out that mechanical properties of nc-NPAu specimens such as toughness, ultimate and yield strengths grow at increasing strain rates for both... (More)
In this study, strain rate effects on the tensile and compressive properties of nano-crystalline nanoporous gold (nc-NPAu) are investigated by performing molecular dynamics simulations. For this purpose, atomistic models of nc-NPAu structures with three different grain sizes are generated through a novel modeling technique based on the Voronoi tessellation method. Additionally, an adaptive common neighbor analysis (aCNA) is carried out to examine the evolution of the crystal structure. In this way, the deformation mechanisms of nc-NPAu atomistic models are thoroughly investigated. The findings point out that mechanical properties of nc-NPAu specimens such as toughness, ultimate and yield strengths grow at increasing strain rates for both tensile and compressive loadings while their elastic moduli exhibit less significant variations at different strain rates. Furthermore, the study also shows that in addition to dislocation motion, several other deformation mechanisms including grain rotation, grain boundary sliding and grain travelling are observed to be effective for nc-NPAu. (Less)
Abstract (Swedish)
In this study the strain rate effects on the tensile and compressive properties of nano-crystalline nanoporous gold (nc-NPAu) are investigated by performing molecular dynamics simulations. In order to examine the role of strain rate,
atomistic models of nc-NPAu structures with three different grain size are generated through a novel modeling technique based on the Voronoi tessellation method. Additionally an adaptive common neighbor analysis (aCNA) is
carried out to observe the evolution of the crystal structure. In this way the deformation mechanisms of nc-NPAu atomistic models are thoroughly investigated. The findings point out that such mechanical properties as toughness, ultimate and yield strengths grow at increasing strain... (More)
In this study the strain rate effects on the tensile and compressive properties of nano-crystalline nanoporous gold (nc-NPAu) are investigated by performing molecular dynamics simulations. In order to examine the role of strain rate,
atomistic models of nc-NPAu structures with three different grain size are generated through a novel modeling technique based on the Voronoi tessellation method. Additionally an adaptive common neighbor analysis (aCNA) is
carried out to observe the evolution of the crystal structure. In this way the deformation mechanisms of nc-NPAu atomistic models are thoroughly investigated. The findings point out that such mechanical properties as toughness, ultimate and yield strengths grow at increasing strain rates for both tensile and compressive loadings. The elastic moduli of nc-NPAu atomic models have exhibited insignificant changes for different strain rates. Moreover this study
shows that the deformation mechanism is not only a combination of dislocation movements, grain rotations, and grain
boundary sliding but also additional grain travelling. (Less)
Please use this url to cite or link to this publication:
author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Nano-crystalline, Nanoporous, Molecular Dynamics Simulations
in
Mechanics of Materials
volume
143
article number
103388
pages
9 pages
publisher
Elsevier
external identifiers
  • scopus:85078967721
ISSN
0167-6636
DOI
10.1016/j.mechmat.2020.103338
language
English
LU publication?
yes
id
142d800c-d3fa-49e3-ab95-421d8e9b15f0
date added to LUP
2019-11-26 14:12:30
date last changed
2022-04-18 18:56:31
@article{142d800c-d3fa-49e3-ab95-421d8e9b15f0,
  abstract     = {{In this study, strain rate effects on the tensile and compressive properties of nano-crystalline nanoporous gold (nc-NPAu) are investigated by performing molecular dynamics simulations. For this purpose, atomistic models of nc-NPAu structures with three different grain sizes are generated through a novel modeling technique based on the Voronoi tessellation method. Additionally, an adaptive common neighbor analysis (aCNA) is carried out to examine the evolution of the crystal structure. In this way, the deformation mechanisms of nc-NPAu atomistic models are thoroughly investigated. The findings point out that mechanical properties of nc-NPAu specimens such as toughness, ultimate and yield strengths grow at increasing strain rates for both tensile and compressive loadings while their elastic moduli exhibit less significant variations at different strain rates. Furthermore, the study also shows that in addition to dislocation motion, several other deformation mechanisms including grain rotation, grain boundary sliding and grain travelling are observed to be effective for nc-NPAu.}},
  author       = {{Yildiz, Yunus and Ahadi, Aylin and Kirca, Mesut}},
  issn         = {{0167-6636}},
  keywords     = {{Nano-crystalline; Nanoporous; Molecular Dynamics Simulations}},
  language     = {{eng}},
  month        = {{01}},
  publisher    = {{Elsevier}},
  series       = {{Mechanics of Materials}},
  title        = {{Strain Rate Effects on Tensile and Compression Behavior of Nano-crystalline Nanoporous Gold: A Molecular Dynamic Study}},
  url          = {{http://dx.doi.org/10.1016/j.mechmat.2020.103338}},
  doi          = {{10.1016/j.mechmat.2020.103338}},
  volume       = {{143}},
  year         = {{2020}},
}