First principles multiscale modeling of physico-chemical aspects of tribology

Goddard, William A.; Çağın, Tahir; Qi, Yue; Zhou, Yihan; Che, Jianwei

doi:10.1016/s0167-8922(01)80089-4

Cited by 1 publication

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“…Molecular modelling is a powerful tool to gain insight into molecular phenomena, the interactions between molecules, and the behaviour of the system over time under specific conditions. As a result, a molecular simulation allows one to predict some macroscopic properties of materials analyzed on the basis of their molecular structure, which is often difficult to do using experimental methods [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

The Effect of an Electric Field on the Sliding Friction of the Silicone Rubber against Selected Metals in Motor Base Oils

2023

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The effects of applying external electric fields on the coefficient of friction of a selected elastomer during mechanical interaction with steel and copper surface oil (counter samples) immersed in a pin-on-disc setup were studied and investigated. The synthetic base oils used were PAG 68 and PAO 6. The elastomer selected for the study is commonly used in the manufacture of rotary lip seals. During the investigations, the viscosity of the oils tested was also experimentally determined in the temperature range of between 286 K and 393 K. It was found that the external electric field had a significant effect on the friction coefficient, depending on the type of base oil, the angular velocity of the load force, and the counterpart. It was observed that for both oils tested, the coefficient of friction values decreased by about 30% when an external DC electric field was applied. In addition, a simple numerical model of the friction interface was proposed and studied. The experimental results were complemented by molecular simulations to determine the interaction between the lubricant molecule and the metal surface. Furthermore, molecular models of the metal surface and lubricant molecules were simulated using ReaxFF and COMPASS force fields to determine adsorption energies.

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