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《Micronanoelectronic Technology》 2008-05
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Study on Thermal Properties of Nanofilms Based on Lattice Dynamics

Li Shengyi,Huang Jianping(School of Mechatronics and automation,National University of Defence Technology,Changsha 410073,China)  
To overcome the drawbacks of molecular dynamics simulation,a new approach based on lattice dynamics to simulate the thermal properties of nanofilms was put forward,and was applied to simulate the thermal property parameters,such as the specific heat capacities,melting temperatures,thermal expansion coefficients and thermal conductivities of silicon and argon nanofilms with different thicknesses.The calculating results show that nanofilms have different thermal properties from the corresponding bulk crystal and appear thickness size effects on thermal properties.The thinner nanofilm has lower melting point,larger specific heat capacity,larger thermal expansion coefficient in the in-plane direction and smaller thermal conductivity in the cross-plane direction than the thicker film,and the thermal conductivity of nanofilm in the cross-plane direction is in direct proportion to the thickness of nanofilm when the thickness of nanofilm is much smaller than the phonon mean free path of the corresponding bulk crystal.
【Fund】: 国家自然科学基金资助项目(5375154)
【CateGory Index】: TB383.2
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