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Effects of atomic oxygen on the friction properties of MoS2 films by using ReaxFF molecular dynamics simulation.

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Title: Effects of atomic oxygen on the friction properties of MoS2 films by using ReaxFF molecular dynamics simulation.
Authors: Tong, Ruiting1,2 (AUTHOR) tongruiting@nwpu.edu.cn, Zhang, Haochen1,2 (AUTHOR), Zhang, Runcheng1,2 (AUTHOR), Ma, Jinlan1,2 (AUTHOR)
Source: Molecular Simulation. Nov2025, Vol. 51 Issue 17, p1124-1142. 19p.
Subjects: Oxygen, Molybdenum disulfide, Contact mechanics, Molecular dynamics, Friction measurements, Friction materials, Oxidation
Abstract: In low earth orbit, the friction properties of molybdenum disulphide (MoS2) are influenced by atomic oxygen (AO). In this work, an AO impacts model and a sliding contact model are developed, and the friction properties of MoS2 films impacted by the AOs are conducted by using ReaxFF molecular dynamics simulation. The oxidation products formed under the impact of the AOs are analysed, and the migration of AOs within the MoS2 film is discussed. The sliding contact processes make the coefficients of friction (COFs) increase initially and then follow stable values. A worn-out phenomenon is discovered at the final stage of the sliding contact process. As the sliding velocity increases, the COFs and surface temperatures of the MoS2 films fluctuate greatly. [ABSTRACT FROM AUTHOR]
Copyright of Molecular Simulation is the property of Taylor & Francis Ltd 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.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 189849603
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Label: Title
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  Data: Effects of atomic oxygen on the friction properties of MoS<subscript>2</subscript> films by using ReaxFF molecular dynamics simulation.
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  Data: <searchLink fieldCode="AR" term="%22Tong%2C+Ruiting%22">Tong, Ruiting</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> tongruiting@nwpu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Zhang%2C+Haochen%22">Zhang, Haochen</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhang%2C+Runcheng%22">Zhang, Runcheng</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ma%2C+Jinlan%22">Ma, Jinlan</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Molecular+Simulation%22">Molecular Simulation</searchLink>. Nov2025, Vol. 51 Issue 17, p1124-1142. 19p.
– Name: Subject
  Label: Subjects
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  Data: <searchLink fieldCode="DE" term="%22Oxygen%22">Oxygen</searchLink><br /><searchLink fieldCode="DE" term="%22Molybdenum+disulfide%22">Molybdenum disulfide</searchLink><br /><searchLink fieldCode="DE" term="%22Contact+mechanics%22">Contact mechanics</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Friction+measurements%22">Friction measurements</searchLink><br /><searchLink fieldCode="DE" term="%22Friction+materials%22">Friction materials</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation%22">Oxidation</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: In low earth orbit, the friction properties of molybdenum disulphide (MoS2) are influenced by atomic oxygen (AO). In this work, an AO impacts model and a sliding contact model are developed, and the friction properties of MoS2 films impacted by the AOs are conducted by using ReaxFF molecular dynamics simulation. The oxidation products formed under the impact of the AOs are analysed, and the migration of AOs within the MoS2 film is discussed. The sliding contact processes make the coefficients of friction (COFs) increase initially and then follow stable values. A worn-out phenomenon is discovered at the final stage of the sliding contact process. As the sliding velocity increases, the COFs and surface temperatures of the MoS2 films fluctuate greatly. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Molecular Simulation is the property of Taylor & Francis Ltd 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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RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1080/08927022.2025.2590666
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 19
        StartPage: 1124
    Subjects:
      – SubjectFull: Oxygen
        Type: general
      – SubjectFull: Molybdenum disulfide
        Type: general
      – SubjectFull: Contact mechanics
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Friction measurements
        Type: general
      – SubjectFull: Friction materials
        Type: general
      – SubjectFull: Oxidation
        Type: general
    Titles:
      – TitleFull: Effects of atomic oxygen on the friction properties of MoS2 films by using ReaxFF molecular dynamics simulation.
        Type: main
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            NameFull: Tong, Ruiting
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            NameFull: Zhang, Haochen
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            NameFull: Zhang, Runcheng
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            NameFull: Ma, Jinlan
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            – D: 15
              M: 11
              Text: Nov2025
              Type: published
              Y: 2025
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              Value: 51
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              Value: 17
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            – TitleFull: Molecular Simulation
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