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1、東南大學(xué)碩士學(xué)位論文基于分子動(dòng)力學(xué)的納米薄膜熱物性研究姓名:林美惠申請(qǐng)學(xué)位級(jí)別:碩士專業(yè):機(jī)械設(shè)計(jì)及理論指導(dǎo)教師:陳云飛陳敏華20090412AbstractTheThermalPropertyStudyofNanoscaleThinFilmsBasedonMolecularDynamicSimulationByLinmeihuiSuperivisedbyProfCHENYunfei,AssociateProfCHENMinhuaMec
2、hanicalEngineeringDepartment,SoutheastUniversityAbstractWiththerapiddevelopmentofsemiconductorbaseddevices,moreandmorepowerisbeingconsumed,thusdistributingmuchmoreheatOntheotherhand,Asindispensablecomponentsofvariousmicr
3、o—devices,thinfilmswiththicknessinmicroscaleandnanoscaleareplayingvitalrolesintheapplicationareassuchasmicroelectronics,optoelectronics,MEMSandtheburgeoningnanotechnologySincetheperformanceandreliabilityofthedevicesarest
4、ronglydependentontheheatconductioninthinfilms,exploringthinfilmthermalconductivityandunderstandingtheheattransportmechanismaleofgreatsignificanceforthethermalmanagementandthermalelectricalcouplingoptimizationdesignofdevi
5、cesWhenthefilmthicknessisreducedbelow100nm,however,itisextremelydifficulttomeasurethinfilmthermalconductivityInthiscase,moleculardynamics(MD)techniqueisvaluableandpromisingtoolandparticularlyagoodalternativeforthestudyof
6、microscaleheatconductioninsolidsThispaperpresentsanintroductiononthethermoelectriccoolers,andthenreviewstherecentprogressintheresearchofmicroscaleheattransport,nanoscalethinfilmandtheinterfaceresistance,Theprincipleofmol
7、eculardynamicssimulation(MD)isdiscussedindetailsThephonontransportandheattransportinbi—materialthinfilmswereanalyzedusingthenonequilibriumMDmethodTheparametersinfluencingthethermalconductivity,suchasthemassratioofdiffere
8、ntparticles,andthepotentialconstantratioofdifferentparticles,thefilmthickness,theregulartemperature,thecrosssectionalareawerestudiedAtlastthevaluesofinterracialthermalresistancecalculatedbyMDmethodcomparedwithLatticeDyna
9、mics(LD)Model,DiffuseMismatchModel(DMM)Thesimulationresultsdemonstratethatthethermalconductivityofbi—materialthinfilmsisdecreasingwhiletheinterfaceresistanceisincreasing,withthemassandthepotentialconstantincreaseofanytyp
10、eofmaterialThiscasecanbeattributedtotheincreaseoftheenergyreflectioncoefficientontheinterfaceswiththeincreaseofmassandpotentialconstantdifferenceoftwodifferenceatomsThethermalconductivityofthethinfilmformedbybothdifferen
11、tmassandpotentialconstantratiomaterialsiSincreasingwiththefilmthicknessAnobvioussizeeffectiSobservedwhichisattributedtotheboundaryscatteringsTheinterfaceresistanceofBimaterialfilmwithdifferentmassratiodecreasedfirstlyand
12、thenkeepsunchangedTheinterfaceresistanceofBimaterialfilmwithdifferentwelldepthincreasesfirstlyandthengrowsslowlyThethermalconductivityofthethinfilmsformedbybothdifferentmassandwelldepthmaterialsareincreasingwiththeincrea
13、seoftemperaturefirstly,andthenshowthedifferenttrendHowever,thecorrespondinginterfaceresistanceisdecreasingwiththeincreaseoftemperature,andthentendtobeaconstantvalueThemainreasonisbecauseofthematerialspecificheatcapacitya
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