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首页> 外文期刊>ACS applied materials & interfaces >Numerical Evaluation on Heat Transport Characteristics Between Al2O3 and ZnO Materials in Nanoscale Situation
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Numerical Evaluation on Heat Transport Characteristics Between Al2O3 and ZnO Materials in Nanoscale Situation

机译：纳米尺度下Al2O3与ZnO材料之间传热特性的数值评估

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摘要

The aim of this article is to provide a systematic method to perform numerical evaluation on the cross-plane thermal conductivity of Al2O3/ZnO film interface. The Equilibrium Molecular Dynamics (EMD) simulations method is used to investigate the cross-plane thermal conductivity of Al2O3/ZnO film interface along the direction of Z axis at different equilibrium temperature and film interface thickness. The Buckingham two-body potential function and Green-Kubo linear response theory are used for modeling and calculation. The results show that the size effect is obvious. It implies the film interface thickness is 23.4-52 A and the equilibrium temperature is 300-600 K. The cross section thermal conductivity of Al2O3/ZnO film interface increases with the increase of interface thickness, and decreases with the increase in equilibrium temperature.
机译：本文的目的是提供一种系统的方法对Al2O3 / ZnO薄膜界面的横断面热导率进行数值评估。采用平衡分子动力学（EMD）模拟方法研究了在不同平衡温度和膜界面厚度下，Al2O3 / ZnO膜界面沿Z轴方向的横断面热导率。白金汉两体势函数和格林库伯线性响应理论用于建模和计算。结果表明，尺寸效应明显。这意味着薄膜界面厚度为23.4-52 A，平衡温度为300-600K。

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