2018
DOI: 10.1021/acsami.8b11075
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Boundary Lubrication Mechanisms for High-Performance Friction Modifiers

Abstract: We recently reported a new molecular heterocyclic friction modifier (FM) that exhibits excellent friction and wear reduction in the boundary lubrication regime. This paper explores the mechanisms by which friction reduction occurs with heterocyclic alkyl–cyclen FM molecules. We find that these chelating molecules adsorb onto (oxidized) steel surfaces far more tenaciously than conventional FMs such as simple alkylamines. Molecular dynamics simulations argue that the surface coverage of our heterocyclic FM molec… Show more

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Cited by 22 publications
(12 citation statements)
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“…In nanotribology, MD simulations have been applied to investigate atomic-scale friction, indentation, contact, wear, and lubricant design. For instance, MD simulations performed by He et al [684] have provided valuable information for design and synthesis of high-performance friction modifiers. However, this section will mostly concentrate on the wear-related simulations while the descriptions for simulations of atomic scale friction and other atomic processes could be found in corresponding Section 6.2.…”
Section: Simulationmentioning
confidence: 99%
“…In nanotribology, MD simulations have been applied to investigate atomic-scale friction, indentation, contact, wear, and lubricant design. For instance, MD simulations performed by He et al [684] have provided valuable information for design and synthesis of high-performance friction modifiers. However, this section will mostly concentrate on the wear-related simulations while the descriptions for simulations of atomic scale friction and other atomic processes could be found in corresponding Section 6.2.…”
Section: Simulationmentioning
confidence: 99%
“…The authors pointed out that it was the heterocyclic structure and tailored side chains that led to the low friction. He et al 9 further investigated the structure−performance relations of heterocyclic additives with varying alkyl substituents. The lubrication mechanisms were discussed in detail based on friction tests and molecular dynamics simulation: enhanced ultrathin boundary lubrication films, improved adsorption stability, and favorable thermodynamic conditions.…”
Section: ■ Introductionmentioning
confidence: 99%
“…By studying the density distribution of alkanes with different chain lengths, Zheng et al [ 13 ] pointed out that increasing the chain length helps to form a lubricating layer of a single molecular layer and makes the density peak increase. Thus, lubricating materials play a vital role in the characteristics of lubrication [ 14 , 15 , 16 , 17 , 18 ]. This research indicates that there are many factors that affect the lubrication characteristics of the film.…”
Section: Introductionmentioning
confidence: 99%