Development of a Transferable ReaxFF Parameter Set for Carbon- and Silicon-Based Solid Systems

DOI Web Site 2 Citations
  • Yang Wang
    Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
  • Yuqing Shi
    College of Engineering Science and Technology, Shanghai Ocean University, Shanghai 201306, China
  • Qiang Sun
    College of Engineering Science and Technology, Shanghai Ocean University, Shanghai 201306, China
  • Kang Lu
    College of Engineering Science and Technology, Shanghai Ocean University, Shanghai 201306, China
  • Momoji Kubo
    Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
  • Jingxiang Xu
    College of Engineering Science and Technology, Shanghai Ocean University, Shanghai 201306, China

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The performance of carbon- and silicon-based solid lubricants is strongly affected by the tribochemical reactions, especially with hydrogen and oxygen. Even though understanding and unveiling these...

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