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1、JournalofPhysics:CondensedMatterPAPER•OPENACCESSRelatedcontent-ClassicaldensityfunctionalstudyofMicroscopicaspectsofwettingusingclassicalwettingtransitionsonnanopatternedsurfacesdensityfunctionaltheoryPYatsyshin,AOParry,CRascónetal.-CompleteprewettingPYatsyshin,AOParryandSKalliadas
2、isTocitethisarticle:PYatsyshinetal2018J.Phys.:Condens.Matter30274003-DensityfunctionalstudyofcondensationincappedcapillariesPYatsyshin,NSavvaandSKalliadasisViewthearticleonlineforupdatesandenhancements.ThiscontentwasdownloadedfromIPaddress61.174.132.238on14/08/2018at12:20IOPJournal
3、ofPhysics:CondensedMatterJournalofPhysics:CondensedMatterJ.Phys.:Condens.MatterJ.Phys.:Condens.Matter30(2018)274003(9pp)https://doi.org/10.1088/1361-648X/aac6fa30Microscopicaspectsofwettingusing2018classicaldensityfunctionaltheory©2018IOPPublishingLtdP Yatsyshin,M-A Durán-Olivencia
4、andS KalliadasisJCOMELDepartmentofChemicalEngineering,ImperialCollegeLondon,London,SW72AZ,UnitedKingdomE-mail:p.yatsyshin@imperial.ac.ukands.kalliadasis@imperial.ac.uk274003Received27December2017,revised10May2018Acceptedforpublication22May2018PYatsyshinet alPublished12June2018Abstr
5、actMicroscopicaspectsofwettingusingclassicaldensity-functionaltheoryWettingisaratherefficientmechanismfornucleationofaphase(typicallyliquid)ontheinterfacebetweentwootherphases(typicallysolidandgas).InmanyexperimentallyPrintedintheUKaccessiblecasesofwetting,theinterplaybetweenthesub
6、stratestructure,andthefluid–fluidandfluid–substrateintermolecularinteractionsbringsaboutanentire‘zoo’ofpossiblefluidconfigurations,suchasliquidfilmswithathicknessofafewnanometers,liquidnanodropsCMandliquidbridges.Thesefluidconfigurationsareoftenassociatedwithphasetransitionsoccurri
7、ngatthesolid–gasinterfaceandatlengthsofjustseveralmoleculardiametersaway10.1088/1361-648X/aac6fafromthesubstrate.Inthisspecialissuearticle,wedemonstratehowafullymicroscopicclassicaldensity-functionalframeworkcanbeappliedtotheefficient,rationalandsystematicexplorationoftherichphases
8、paceofwettingphenomena.Wec
