摘要
采用非平衡分子动力学的方法,在COMPASS力场下计算了β-SiC纳米薄膜热导率.当其厚度在3.426~6.905 nm范围内变化时,β-SiC薄膜热导率在5.054~9.654 Wm-1K-1之间;当系统温度在300~1000 K范围内时,其热导率在7.315~8.324 Wm-1K-1之间.计算结果表明:在选定的薄膜厚度范围内,热导率随薄膜厚度的增加而增加,表现出明显的尺度效应;当系统温度变化时,其热导率也发生改变,但影响较小.
The thermal conductivity ofβ-SiC nanofilm was calculated by using non-equilibrium molecular dy-namics and COMPASS force field.The thermal conductivity is 5.054~9.654 Wm-1K-1for thickness of the film varing in the range of 3.426~6.905 nm and 7.315~8.324 Wm-1K-1 at the temperature of 300~1000 K.The results show that in the selected film thickness range,the thermal conductivity increases with the increase of film thickness,which has a significant scale effect.Besides,when the system temperature changes,the thermal conductivity is not quite different.
作者
白素媛
贾孟晗
吴宝丽
丛士博
白容榕
BAI Suyuan;JIA Menghan;WU Baoli;CONG Shibo;BAI Rongrong(School of Physics and Electronic Technology,Liaoning Normal University,Dalian Liaoning 116029,China)
出处
《鞍山师范学院学报》
2019年第6期23-27,共5页
Journal of Anshan Normal University
基金
辽宁省自然科学基金(2015020079)
