双原子分子在纳米通道内的分子动力学分析-molecular dynamics analysis of diatomic molecules in nanochannels.docxVIP

AbstractCompanywithahighspeeddevelopmentofscienceandtechnology,manufactureofincreasinglycomplexitydevicesreguireever-smallercomponents.Withtheemergenceofnanoscaldevices,moreandmorepeoplerealizetheimportanceofthattechnology.Inthepast,peopleonlycareaboutthepracticalapplicationofnanotechnology,oftenignoringtheirinternalphysiccalandchemicallaws.Ledtothemanufactureandtheoryofdivergence,sothearticleisfromtheinternalmechanismofmirco-flowanalysis.AsimportantcomponentofNEMS，nanoscienceandtechnologyplayaimportantroleinnanofluidic.Inthestudyofnano-flowprocess,duetoscaleeffects.Numericalsimulationisthemostcommonmethodofnano-technology.Inthisdissertation，MolecularDynamics(MD)simulationsarecarriedouttoinvestigatetheflowofnitrogenconfinedwithinaparallelnanochannel.ThenitrogentransportphenomenaandmechanismofCouetteandPoiseuilleareexplored.Thenumberdensitydistributionofliquidnitrogeninnanochannelaredeterminedthroughvaryingshearingvelocity,thewettability,andthewidthofchannel.Theeffectofwallroughnesswasalsoconsidered.Therealwaysexistnumberdensityoscillationnearthewall.Companywiththeincreaseofthechannel,theamplitudeofoscillationwillbecomestable.Withtheincreaseofwettability,Closetothewallwiththenumberdensityofliquidnitrogenincrease.Thenumberdensityofgasshowstheoppositevibration.Whenthetemperatureincreases,thenumberdensityshowsthatmorestable.Thewallvelocityhaslessinfluenceonthenumberdensity.Itshownthatthevelocitycanbesuppressedwhentheroughnessofwallwasconsidered.Withtheroughnessincrease,themorerestrictions.Keywords:MEMS;MD;wettability;roughness;numberdensity.目录摘要...............................................................................................................................IAbstract..........................................................................................................................II目录............................................................................................................................III第1章绪论.......................................