论文标题
关于单壁phagraphene纳米管的弹性特性
On the Elastic Properties of Single-Walled Phagraphene Nanotubes
论文作者
论文摘要
Phagraphene（PHAG）是一种准平面2D结构，由$ 5-6-7 $ ring序列组成。我们通过完全原子的反应性分子动力学（MD）模拟研究了phapheene纳米管（PHANTS）的结构和机械性能。为了进行比较，结果也与类似的碳纳米管（CNT）形成鲜明对比。结果表明，网络和CNT具有相似的脆性断裂机制。获得的粉丝的模量值小于CNT相应的模量值。同等的骨折菌株均在15 \％-20 \％之间。对于最终强度值，CNT的呈现值比对相应的值高约30 \％。
Phagraphene (PhaG) is a quasi-planar 2D structure composed of $5-6-7$ ring sequence. We have investigated the structural and mechanical properties of phagraphene nanotubes (PhaNTs) through fully atomistic reactive molecular dynamics (MD) simulations. For comparison purposes, the results were also contrasted to similar carbon nanotubes (CNTs). Results showed that PhaNTs and CNTs present similar brittle fracture mechanisms. The Young's modulus values obtained for PhaNTs were smaller than the corresponding ones for CNTs. Both, PhaNTs and CNTs, present equivalent fracture strains ranging between 15\%-20\%. For the ultimate strength values, CNTs present values about 30\% higher than the corresponding ones for PhaNTs.
