Thermal conductivity of bulk and nanowire of cubic-SiC from ab initio calculations

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• 作者：Linu Malakkal^a ; ^{linumalakal@gmail.com} ; Barbara Szpunar^b ; Ravi Kiran Siripurapu^a ; Jerzy A. Szpunar^a
• 关键词：SiC ; First principles ; Nanowires ; Thermal conductivity ; BTE ; Slack model
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：128
• 期：Complete
• 页码：249-256
• 全文大小：1219 K
• 卷排序：128

文摘

The kL of bulk and nanowires SiC at high temperatures using ab initio. Accurate prediction of thermal expansion of SiC compared to previous simulations. Comparison of the thermal conductivity using the Slack method and BTE. A new correlation for the thermal conductivity from the simulated results. The dependence of size and orientation of nanowires on thermal conductivity.