,Molecular dynamic simulation of lubricant spreading: effect from the substrate and endbead

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Molecular dynamic simulations based on a coarse-grained,bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether (PFPE) on solid substrates.For nonfunctional PFPE,the spreading generally exhibits a smooth profile with a precursor film.The spreading profiles on different substrates are compared,which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour,especially on the formation of the precursor film.For functional PFPE,the spreading generally exhibits a complicated terraced profile.The spreading profiles with different endbeads are compared,which indicate that the endbead-substrate interaction and the endbead-endbead interaction,especially the latter,have a significant effect on the spreading behaviour.
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