基于分子動力學(xué)的納米薄膜熱物性研究.pdf

1、東南大學(xué)碩士學(xué)位論文基于分子動力學(xué)的納米薄膜熱物性研究姓名：林美惠申請學(xué)位級別：碩士專業(yè)：機械設(shè)計及理論指導(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