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Sophisticated machinery requires the development of new lubricants that realize friction-less contact, perfect transmittance of torque, and so on. However, experimental approaches have needed long time to find new lubricants. Therefore, the prediction of lubricant properties by computational chemistry should be crucial to accelerate the design of lubricants. This study treats precise evaluation of...
Molecular dynamics simulations were performed to investigate the dynamic behavior of three kinds of perfluoropolyether molecules under constant shear and pressure conditions. Lubricational properties of these lubricants confined between two solid surfaces were calculated under different temperatures. The layered structures were observed for all lubricant. However lubricational properties of these...
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