Establishment of Theoretical Basis on Running-in and Seizure Based on Quantum Chemistry for Super-low Friction Technology Development

2016 Fiscal Year Final Research Report

• Project/Area Number: 26249011
• Research Category: Grant-in-Aid for Scientific Research (A)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Design engineering/Machine functional elements/Tribology
• Research Institution: Tohoku University
• Principal Investigator: Kubo Momoji 東北大学, 金属材料研究所, 教授 (90241538)
• Co-Investigator(Kenkyū-buntansha): 足立 幸志 東北大学, 工学(系)研究科(研究院), 教授 (10222621) ; 樋口 祐次 東北大学, 金属材料研究所, 助教 (30613260)
• Project Period (FY): 2014-04-01 – 2017-03-31
• Keywords: 超低摩擦 / 量子化学 / トライボロジー / なじみ / 焼付き

Outline of Final Research Achievements

By using tribochemial reaction simulators based on our developed first-principles and tight-binding quantum chemical molecular dynamics methods, the mechanisms of running-in and seizure on various lubricating films were elucidated and the prevention method of seizure was successfully proposed. We also clarified that tribochemical reactions strongly depend on the lubricating films. Furthermore, we successfully developed a new tribochemical reaction simulator based on ReaxFF molecular dynamics method for larger system. Clarified running-in and seizure phenomena by our simulations were good agreement with the experimental observations and then the accuracy of the simulation methodologies is verified. Furthermore, wear phenomena after the running-in and seizure were also clarified by our simulations and we successfully proposed the prevention method of wear. Finally we concluded that these outcomes are more than planned results.

Free Research Field

計算科学