Numerical Evaluation on Heat Transport Characteristics Between Al2O3 and ZnO Materials in Nanoscale Situation

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• 作者：Ping Yang ; Haifeng Xu ; Liqiang Zhang ; Fangwei Xie ; Jianming Yang
• 刊名：ACS Applied Materials & Interfaces
• 出版年：2012
• 出版时间：January 25, 2012
• 年：2012
• 卷：4
• 期：1
• 页码：158-162
• 全文大小：266K
• 年卷期：v.4,no.1(January 25, 2012)
• ISSN：1944-8252

文摘

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鈥揔ubo 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鈥?2 脜 and the equilibrium temperature is 300鈥?00 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.

Keywords:

molecular dynamics simulations; Al₂O₃/ZnO film interface; Buckingham potential function; thermal conductivity