Kwon Gyemin, Heo Youhee, Shin Kwanwoo, Sung Bong June
Department of Chemistry, Sogang University, Seoul 121-742, Republic of Korea.
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jan;85(1 Pt 1):011143. doi: 10.1103/PhysRevE.85.011143. Epub 2012 Jan 27.
The effect of shear on the electrical percolation network of carbon nanotube (CNT)-polymer composites is investigated using computer simulations. Configurations of CNTs in a simple shear, obtained by using Monte Carlo simulations, are used to locate the electrical percolation network of CNTs and calculate the electric conductivity. When exposed to the shear, CNTs align parallel to the shear direction and the electrical percolation threshold CNT concentration decreases. Meanwhile, after a certain period of the shear imposition above a critical shear rate, CNTs begin to form an aggregate and the percolating network of CNTs is broken, thus decreasing the electric conductivity significantly. We also construct quasiphase diagrams for the aggregate formation and the electrical percolation network formation to investigate the effect of the shear rate and CNT concentration.
利用计算机模拟研究了剪切对碳纳米管(CNT)-聚合物复合材料电渗流网络的影响。通过蒙特卡罗模拟获得的简单剪切中碳纳米管的构型,用于确定碳纳米管的电渗流网络并计算电导率。当受到剪切作用时,碳纳米管平行于剪切方向排列,并且碳纳米管的电渗流阈值浓度降低。同时,在高于临界剪切速率施加一定时间的剪切后,碳纳米管开始形成聚集体,并且碳纳米管的渗流网络被破坏,从而显著降低电导率。我们还构建了聚集体形成和电渗流网络形成的准相图,以研究剪切速率和碳纳米管浓度的影响。