纳米薄膜面向导热系数的分子动力学模拟.pdfVIP

第19卷第5期 传感技术学报 V01．19No．5 CHINESE OFSENSORSANDAcTUATORs 2006年10月 JOURNAL Oct．2006 Moleculer SimulationofThermal of Dynamics Conductivity intheDirectionthePlanes Nano-Films along XU M0 Yue—fei。，L Heng—cheng Materials (Collegeof ScienceEngineering，SoutheastUniversity，NⅡnjing210096，China) to eatablishaheatconductionmodel thethermal ofnano—filmsbased Abstract：We investigate conductivity onmoleculer simulations．Theworkuses moleculer to dynamics non—equilibrium present dynamicsstudy theeffectsof and onthethermal calculationsofthether— length，thicknesscavity conductivity．Wepresent real ofthe filmsinthedirectionthe dataand planes structure，stable conductivityargon along usingsimple the of resultsshowthatthethermal ofthe crystal．Simulation potentialenergyargon conductivityargon films the increasewiththeincreaseof andthicknesswhen increase inthedirection alongplanes length they toadimension．whichare tonumericalvalue．Thesize-effectis thermal equal significant．The ofthe filmsinthedirectionthe ismore thanthethermal which argon alo