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Tribological Performance of the R1233zd Refrigerant in Extreme Confinement at the Nanoasperity Level: A Molecular Dynamics Study Using an ab Initio-Based Force Field

Abstract : The tribological performance of the R1233zd refrigerant in extreme confinement between two hematite Fe2O3(011¯¯¯2) surfaces is studied thanks to large-scale molecular dynamics simulations based on a force field previously parametrized from ab initio calculations. With atomically smooth surfaces, and a refrigerant film thickness as small as 2 nm, adsorbed layers of R1233zd molecules on Fe2O3 surfaces resist to high pressures and high sliding velocities. In ultra-confined systems, friction behaves non-monotonously, reaching a global maximum when a single saturated layer is formed. Moreover, sliding simulations with a rough surface reveal total film breakdown for a local pressure around 13 GPa. Interestingly, the addition of a sliding velocity enhances the performance through a hydrodynamic lift-like mechanism: the higher the sliding, the higher the chance for refrigerant molecules to be entrained into the asperity contact.
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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02363386
Contributor : Armelle Vidal <>
Submitted on : Thursday, November 14, 2019 - 1:50:50 PM
Last modification on : Thursday, April 2, 2020 - 10:48:05 AM

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Stéphane Tromp, Laurent Joly, Manuel Cobian, Nicolas Fillot. Tribological Performance of the R1233zd Refrigerant in Extreme Confinement at the Nanoasperity Level: A Molecular Dynamics Study Using an ab Initio-Based Force Field. Tribology Letters, Springer Verlag, 2019, 67 (3), ⟨10.1007/s11249-019-1180-9⟩. ⟨hal-02363386⟩

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