双层薄膜界面声子输运的Monte Carlo模拟

Monte Carlo Simulation of Interfacial Phonon Transport Through Bilayer Thin Film

界面声子热输运现象广泛地存在于纳米热电装置和微纳电子器件中,但其物理机制和介观模型仍不完善。本文将考虑真实色散关系的漫射失配(DMM)界面模型引入到高效、低噪的动力型声子Monte Carlo(MC)方法,建立了一个频谱穿透系数的界面声子输运数值模型。采用新的数值模型研究了室温下Si/Al薄膜中的界面声子输运,可准确捕捉法向输运和面向输运的非平衡效应。

Interfacial phonon transport widely exists in nano thermoelectric and nano electronic devices,but the mechanism and mesoscopic modeling remain still incomplete.The present work establishes a numerical model for interfacial phonon transport by introducing the diffuse mismatch model（DMM） with exact phonon dispersion to a kinetic-type Monte Carlo（MC） scheme.Then the interfacial phonon transport through Si/Al bilayer thin film at room temperature is studied.The new numerical model is able to capture well the non-equilibrium effects in both cross-plane and in-plane transport.