Molecular dynamics of tribochemical reaction with ZDDP

Jean Martin, Tasuku Onodera, Hideyuki Tsuboi, Akira Endou, Michihisa Koyama, Mozomu Hatakeyama, Hiromitsu Takaba, Suzuki Ai, Clotilde Minfray, Momoji Kubo, Akira Miyamoto

Research output: Contribution to conferencePaperpeer-review


Tribochemical reactions with ZDDP have been extensively studied thanks to analytical tool such as surface analysis (XPS, XANES) and analytical EF-TEM. Accurate characterization of the tribofilm composition has thus been obtained.However, results also show that the mechanism of friction and wear reduction by ZDDP is governed by atomic scale processes. Analytical techniques are at their limit and new methods are necessary to go further. In this work, we propose a study of tribochemical reactions of ZDDP using molecular dynamics. The tribofilm composition is modelized by zinc phosphate and/or thiophosphate. We show the mechanisms of transfer of the tribofilm material on an oxide layer as well as the digestion process of transition metal oxides nanoparticles in a simulated contact at a pressure of 1 GPa. As a whole, MD calculations show extremely good agreement with experiment simulations.

Original languageEnglish
Publication statusPublished - 2008
Event2008 Annual Meeting of the Society of Tribologists and Lubrication Engineers, STLE 2008 - Cleveland, OH, United States
Duration: 2008 May 182008 May 22


Conference2008 Annual Meeting of the Society of Tribologists and Lubrication Engineers, STLE 2008
Country/TerritoryUnited States
CityCleveland, OH


  • Antiwear additives
  • Boundary lubrication (general)
  • Dynamic modelling


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