A dynamic and tribological simulation of a monolayer graphene sheet for a carbon atom‐graphene contact.

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Title: A dynamic and tribological simulation of a monolayer graphene sheet for a carbon atom‐graphene contact.
Authors: Palaiologos, Alexandros1 (AUTHOR), Grigoriadis, Kyriakos1 (AUTHOR), Zavos, Anastasios1 (AUTHOR), Nikolakopoulos, Pantelis G.1 (AUTHOR) pnikolak@mech.upatras.gr
Source: Lubrication Science. Aug2019, Vol. 31 Issue 5, p194-209. 16p.
Subjects: Dynamic simulation, Atomic theory, Covalent bonds, Carbon
Abstract: This study focuses on the dynamic and tribological characterisation of a single‐layer graphene sheet (SLGS). A 10 × 10 nm graphene model is developed, which is modally analysed for both zigzag and armchair lattices, thus enabling the examination of chirality effect on the SLGS' eigenfrequencies. The tribological analysis consists of the same SLGS model and a carbon atom simulating the graphene tip. The carbon atom is set to move on multiple paths to examine the importance of the path's position over the sheet. The friction forces applied on the tip during its movement can be calculated. The carbon atom tip is interlinked with the graphene atoms via the Lennard‐Jones model, characterising the real contact area. Spring elements mimic the interatomic forces, while beam and mass elements simulate the graphene's C─C covalent bonds and atoms, respectively, on a finite element simulation verified by the Prandtl‐Tomlinson model. It is perceived a strong stick‐slip effect on the friction force's areal pattern, which can be verified by the Prandtl‐Tomlinson theory of the atomic scale friction. It also became clear the effect of chirality, on graphene's tribological behaviour, after the differences in the calculated friction forces. Finally, an increase in the coefficient of friction analogous to the increase of the vertical load, due to graphene's deformation, is determined, while in the zigzag lattice, the coefficient of friction appears to be significantly lower that the armchair one. [ABSTRACT FROM AUTHOR]
Copyright of Lubrication Science is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Label: Title
  Group: Ti
  Data: A dynamic and tribological simulation of a monolayer graphene sheet for a carbon atom‐graphene contact.
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  Data: <searchLink fieldCode="AR" term="%22Palaiologos%2C+Alexandros%22">Palaiologos, Alexandros</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Grigoriadis%2C+Kyriakos%22">Grigoriadis, Kyriakos</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zavos%2C+Anastasios%22">Zavos, Anastasios</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nikolakopoulos%2C+Pantelis+G%2E%22">Nikolakopoulos, Pantelis G.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> pnikolak@mech.upatras.gr</i>
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  Data: <searchLink fieldCode="JN" term="%22Lubrication+Science%22">Lubrication Science</searchLink>. Aug2019, Vol. 31 Issue 5, p194-209. 16p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Dynamic+simulation%22">Dynamic simulation</searchLink><br /><searchLink fieldCode="DE" term="%22Atomic+theory%22">Atomic theory</searchLink><br /><searchLink fieldCode="DE" term="%22Covalent+bonds%22">Covalent bonds</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon%22">Carbon</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: This study focuses on the dynamic and tribological characterisation of a single‐layer graphene sheet (SLGS). A 10 × 10 nm graphene model is developed, which is modally analysed for both zigzag and armchair lattices, thus enabling the examination of chirality effect on the SLGS' eigenfrequencies. The tribological analysis consists of the same SLGS model and a carbon atom simulating the graphene tip. The carbon atom is set to move on multiple paths to examine the importance of the path's position over the sheet. The friction forces applied on the tip during its movement can be calculated. The carbon atom tip is interlinked with the graphene atoms via the Lennard‐Jones model, characterising the real contact area. Spring elements mimic the interatomic forces, while beam and mass elements simulate the graphene's C─C covalent bonds and atoms, respectively, on a finite element simulation verified by the Prandtl‐Tomlinson model. It is perceived a strong stick‐slip effect on the friction force's areal pattern, which can be verified by the Prandtl‐Tomlinson theory of the atomic scale friction. It also became clear the effect of chirality, on graphene's tribological behaviour, after the differences in the calculated friction forces. Finally, an increase in the coefficient of friction analogous to the increase of the vertical load, due to graphene's deformation, is determined, while in the zigzag lattice, the coefficient of friction appears to be significantly lower that the armchair one. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Lubrication Science is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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    Identifiers:
      – Type: doi
        Value: 10.1002/ls.1447
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      – Code: eng
        Text: English
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        PageCount: 16
        StartPage: 194
    Subjects:
      – SubjectFull: Dynamic simulation
        Type: general
      – SubjectFull: Atomic theory
        Type: general
      – SubjectFull: Covalent bonds
        Type: general
      – SubjectFull: Carbon
        Type: general
    Titles:
      – TitleFull: A dynamic and tribological simulation of a monolayer graphene sheet for a carbon atom‐graphene contact.
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            NameFull: Palaiologos, Alexandros
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            NameFull: Grigoriadis, Kyriakos
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            NameFull: Zavos, Anastasios
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            NameFull: Nikolakopoulos, Pantelis G.
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            – D: 01
              M: 08
              Text: Aug2019
              Type: published
              Y: 2019
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              Value: 31
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              Value: 5
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            – TitleFull: Lubrication Science
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