【摘 要】
：
By adjusting the number of acetylenic linkages between carbon hexagons in carbon nanotube (CNT), extended graphyne-based nanotubes (GNTs) (Fig.1a) [1] with
【机 构】
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ChongqingInstituteofGreenandIntelligentTechnology,ChineseAcademyofSciences,Chongqing,400714
【出 处】
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第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con
论文部分内容阅读
By adjusting the number of acetylenic linkages between carbon hexagons in carbon nanotube (CNT), extended graphyne-based nanotubes (GNTs) (Fig.1a) [1] with different generations can be derived.In this work, non-equilibrium molecular dynamics (NEMD) [2]simulations were performed to investigate the thermal conductivity (TC) of GNT-n (n=1,2,3,4,5)at 300 K.In comparison with CNT, the presence of the acetylenic linkages in GNTs is found to cause a significant TC reduction as a result of the low atom density in the structures.With the variation of the generation n, thermal conductivity of both armchair and zigzag GNTs behaves in a scaling relation as λ ~ n-1/2 (Fig.1b).Furthermore, the influence of the diameter and length of GNTs on TC were also discussed and the corresponding scaling relations were derived.
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