Investigation on CNT/alumina interface properties using molecular mechanics simulations
Investigation on CNT/alumina interface properties using molecular mechanics simulations
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DOI：
10.1016/j.carbon.2011.04.059
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发表时间：
2011-09
期刊：
影响因子：
10.9
通讯作者：
Sentao Liu;N. Hu;G. Yamamoto;Yindi Cai;Yajun Zhang;Yaolu Liu;Yuan Li;T. Hashida;H. Fukunaga-H.-Fu
中科院分区：
文献类型：
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作者：
Sentao Liu;N. Hu;G. Yamamoto;Yindi Cai;Yajun Zhang;Yaolu Liu;Yuan Li;T. Hashida;H. Fukunaga-H.-Fu
采用分子力学模拟方法研究了碳纳米管（CNT）从氧化铝（α-Al 2 O3）基体中拔出的过程，研究了货车德瓦耳斯力和静电库仑力作用下CNT与氧化铝基体的界面性质.碳纳米管的拔出力与其直径成正比，但与其长度和氧化铝晶界类型无关。提出了一种理论来预测的力量从氧化铝基体中任意拉出的CNT使用的最外壁直径的CNT。
The pull-out of a carbon nanotube (CNT) from an alumina (α-Al2O3) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.