Tsige M, Mahajan M P, Rosenblatt C, Taylor P L
Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106-7079, USA.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1999 Jul;60(1):638-44. doi: 10.1103/physreve.60.638.
We have used atomistic molecular-dynamics simulations to model the detailed molecular configuration of 5CB (4-n-pentyl-4'-cyanobiphenyl) molecules in the form of a nanoscopic liquid crystal droplet in a vacuum microgravity environment. We find the equilibrium state of droplets consisting of as few as 26 or 50 molecules to exhibit significant nematic ordering. The shape of the droplets is also anisotropic, but there is little angular correlation between the nematic director and the long axis of the droplet. Some tendency to micelle formation is observed in droplets of 50 molecules.
我们利用原子分子动力学模拟，对真空微重力环境下呈纳米级液晶液滴形式的5CB（4-正戊基-4'-氰基联苯）分子的详细分子构型进行了建模。我们发现，由少至26个或50个分子组成的液滴的平衡态呈现出显著的向列有序性。液滴的形状也是各向异性的，但向列指向矢与液滴长轴之间几乎没有角度相关性。在50个分子组成的液滴中观察到了一些形成胶束的趋势。
