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자동차용 MEMS 센서 개발을 위한 결정질/비정질 SiO₂의 대규모 분자동역학 시뮬레이션
이종원(J. W. Lee),김성관(S. G. Kim) 한국전산유체공학회 2014 한국전산유체공학회 학술대회논문집 Vol.2014 No.5
This study presents reverse non-equilibrium molecular dynamics (rNEMD) simulations predicting the thermal conductivity of crystalline silica and amorphous silica. The heat flux was imposed using the Muller-Plathe method and interatomic interactions were modeled using the van Veest, Kramer and van Santen potential. The calculation temperature are from 100 to 700K and the thicknesses are from 2 to 8nm. Large-scale molecular dynamics simulation was modeled using the modified Tersoff potential. The calculation temperature are from 300 to 500K and the thicknesses are 21nm. Finally, we show that the results obtained by rNEMD method depends on th temperature and thicknesses of the thin films.