中文摘要：

采用非平衡态分子动力学模拟的方法研究了硅纳米线平放在基底上的轴向热导率,结果表明基底的存在降低了纳米线的热导率,且随着温度的升高,热导率逐渐降低。通过改变纳米线与基底之间的范德华作用力强度,研究了基底约束对硅纳米线热导率的影响,结果表明,随着作用力强度的增加,纳米线热导率逐渐减小。模拟结果还显示,基底维数的降低能够进一步减小硅纳米线的热导率。

英文摘要：

The longitudinal thermal conductivity of silicon nanowire on substrate is investigated by non-equilibrium molecular dynamics simulations（NEMD）.The results show that the presence of the substrate lowers the thermal conductivity of silicon nanowire,and the thermal conductivity decreases with the increasing temperature.The effects of the substrate on the thermal conductivity of silicon nanowire are also explored by changing the strength of van der Waals interaction between substrate and nanowire.It demonstrates that the thermal conductivity of nanowire decreases with the increase of interaction strength.The present study also shows that lowering the dimension of substrate leads to a reduction in the thermal conductivity of silicon nanowire on it.