期刊论文

Simulation research on formation and compressive properties of aluminum nanowires inside carbon nanotubes and boron-nitride nanotubes

Yuan Jian-Hui;Liu Qi-Cheng

中文

物理学报

1000-3290

2019

68

18

186101

10.7498/aps.68.20190137

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61771076, 21276028, 21506259]

本校为第一且通讯机构

采用分子动力学方法分别对管内充以铝原子碳纳米管(CNT)与氮化硼纳米管(BNNT)进行了结构性能研究.优化结果显示:(5,5)CNT和BNNT内均能形成一束一维铝纳米线(AlNW);(10,10)管内形成的是多束AlNW,其中(10,10)CNT内形成的是11束高度轴对称一维AlNW,而(10,10)BNNT内形成的是5束螺旋结构形状的AlNW.进一步分析表明:CNT内的AlNW具有比BNNT内的AlNW较大的原子分布线密度,但大管径(10,10)型BNNT内的螺旋状AlNW可以具有比相同管径CNT内纳米线更高的结晶性.通过对其轴向压缩模拟及其能量分析,可以发现AlNW@CNT复合结构的屈曲应变明显大于AlNW@BNNT,且同类型复合结构,屈曲应变随管径增大而减小,故较小管径的...

To know the basic configuration and application characteristics of aluminum (Al) nanostructure, the structure performances of carbon nanotube (CNT) and boron-nitride NT (BNNT) filled with Al atoms are studied through molecular dynamics. Optimization results show that the Al atoms in the tube are arranged neatly into various shapes of nanowires. A bunch of one-dimensional (1D) Al nanowires (AlNWs) is formed in (5, 5) CNT and BNNT, and large beams of AlNWs are formed in (10, 10) NT, including 11 beams of 1D AlNWs with highly axial symmetry in (10...