Molecular Dynamics Study on the Mechanism of Improved Tribological Properties of Nano-ZnO with Decanol Lubrication

IF 2.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL
Min Ji, Yaowen Chen, Ying Wang, Feichi Zhang, Jing Li, Haijun Pan, Yujie Zhao, Zhen Zhang, Lin Liu
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Abstract

This study employs molecular dynamics simulation to examine the tribological behavior of nano zinc oxide (nano-ZnO) lubricated with decanol. The changes in electrostatic interaction energy, molecular structure, and chemical reactions during the friction process were analyzed. For ZnO-decanol-ZnO system, the simulation revealed a notable reduction in the coefficient of friction for nano-ZnO, decreasing from 0.49 (at 0.5 GPa and 100 m/s) to 0.18 (at 3 GPa and 20 m/s). This improvement is attributed to the enhanced adsorption ability and temperature stabilization provided by the decanol lubricant. Furthermore, an increase in velocity induces elastoplastic deformation and wear on the sliding surface, leading to a decline in tribological performance.

Abstract Image

癸醇润滑改善纳米氧化锌摩擦学特性机理的分子动力学研究
本研究采用分子动力学模拟来研究用癸醇润滑的纳米氧化锌(nano-ZnO)的摩擦学行为。分析了摩擦过程中静电相互作用能、分子结构和化学反应的变化。对于氧化锌-癸醇-氧化锌体系,模拟结果显示纳米氧化锌的摩擦系数显著降低,从 0.49(0.5 GPa 和 100 m/s)降至 0.18(3 GPa 和 20 m/s)。这一改善归因于癸醇润滑剂增强了吸附能力和温度稳定性。此外,速度的增加会引起滑动表面的弹塑性变形和磨损,从而导致摩擦学性能下降。
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来源期刊
Tribology Letters
Tribology Letters 工程技术-工程:化工
CiteScore
5.30
自引率
9.40%
发文量
116
审稿时长
2.5 months
期刊介绍: Tribology Letters is devoted to the development of the science of tribology and its applications, particularly focusing on publishing high-quality papers at the forefront of tribological science and that address the fundamentals of friction, lubrication, wear, or adhesion. The journal facilitates communication and exchange of seminal ideas among thousands of practitioners who are engaged worldwide in the pursuit of tribology-based science and technology.
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