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Cummings, Peter
Heriot-Watt University
in Cooperation with on an Cooperation-Score of 37%
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Publications (7/7 displayed)
- 2015Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulationcitations
- 2007Aggregation of POSS monomers in liquid hexanecitations
- 2006Evaluation of force fields for molecular simulation of polyhedral oligomeric silsesquioxanescitations
- 2005Effective interactions between polyhedral oligomeric sislesquioxanes dissolved in normal hexadecane from molecular simulationcitations
- 2005Thermodynamic and transport properties of Polyhedral Oligomeric Sislesquioxanes in poly(dimethylsiloxane)citations
- 2005Polyhedral oligomeric sislesquioxanes in solution
- 2005Determining the octanol-water partition coefficient for poss systems
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article
Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation
Abstract
<p>The tribology of 2-methacryloyloxyethyl phosphorylcholine monolayers in water is studied using molecular dynamics simulations. Our results show two distinct shear regimes where the first is dominated by hydration lubrication, exhibiting near zero friction coefficients, and the second by chain-chain interactions, resembling monomer-supported lubrication. These results provide insight into the hydration lubrication mechanism - a phenomena thought to underlie the extremely efficient lubrication provided by surfaces functionalized with polyzwitterionic polymer brushes and the mammalian synovial joint.</p>