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采用非平衡分子动力学方法,模拟了含有三角形孔的氮化硼纳米带(BNNR)不同方向的热导率和热整流效应;采用声子波包方法,分析了热整流机理;并结合正交试验设计,考察了温度、串联孔数和三角形孔边长的影响.研究结果表明:带孔纳米带的热导率低于完整纳米带;氮化硼纳米带从三角形孔的顶角到底边的导热能力强于相反方向的,三角形结构所造成的声子透射率差异是产生整流效应的主要原因;随着孔数的增多,热整流效应增强,但由于多孔界面间相互反射的影响,其增强趋势逐渐减缓;随着孔边长的增大,界面散射影响增加,热整流效应明显增强;孔边长因素比孔数对热整流效应的影响更大.

参考文献

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