Equilibrating high-molecular-weight symmetric andEquilibrating high-molecular-weight symmetric andmapping平衡高分子量对称 可分级聚合物共混物地分层反演.pdf

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1、JournalofPhysics:CondensedMatterPAPER•OPENACCESSRelatedcontent-Systematiccoarse-grainingoftheEquilibratinghigh-molecular-weightsymmetricanddynamicsofentangledpolymermelts:theroadfromchemistrytorheologymisciblepolymerblendswithhierarchicalback-JTPaddingandWJBrielsmapping-Theoreticalmodelsforbridgi

2、ngtimescalesinpolymerdynamicsMGGuenzaTocitethisarticle:TakahiroOhkumaetal2018J.Phys.:Condens.Matter30174001-TopicalReviewMarcusMüllerandLuisGonzálezMacDowellViewthearticleonlineforupdatesandenhancements.ThiscontentwasdownloadedfromIPaddress117.165.43.191on26/08/2018at15:41IOPJournalofPhysics:Cond

3、ensedMatterJournalofPhysics:CondensedMatterJ.Phys.:Condens.MatterJ.Phys.:Condens.Matter30(2018)174001(13pp)https://doi.org/10.1088/1361-648X/aab68430Equilibratinghigh-molecular-weight2018symmetricandmisciblepolymerblends©2018IOPPublishingLtdwithhierarchicalback-mappingJCOMELTakahiro Ohkuma1,2,Kur

4、t Kremer1andKostas Daoulas11740011Max-PlanckInstituteforPolymerResearch,Ackermannweg10,55128Mainz,Germany2CentralResearchDivision,BridgestoneCorporation,Kodaira,Tokyo187-8531,JapanTOhkumaet alE-mail:takahiro.ohkuma@bridgestone.com,kremer@mpip-mainz.mpg.deanddaoulas@mpip-mainz.mpg.deEquilibratingh

5、igh-molecular-weightsymmetricandmisciblepolymerblendswithhierarchicalback-mappingReceived22December2017,revised6March2018Acceptedforpublication14March2018Published5April2018PrintedintheUKAbstractUnderstandingpropertiesofpolymeralloyswithcomputersimulationsfrequentlyrequiresCMequilibrationofsample

6、scomprisedofmicroscopicallydescribedlongmolecules.Wepresenttheextensionofanefficienthierarchicalbackmappingstrategy,initiallydevelopedfor10.1088/1361-648X/aab684homopolymermelts,toequilibratehigh-molecular-weightbinaryblends.Thesemixturespresentsignificantinterestforpracticalapplicationsandfundam

7、entalpolymerphysics.Inourapproach,theblendiscoarse-grainedintomodelsrepresentingpolymersaschainsofPapersoftblobs.EachblobstandsforasubchainwithNbmicroscopicmonomers.Ahierarchyofblob-basedmodelswithdifferentresolutionis