Troppenz Thomas, Filion Laura, van Roij René, Dijkstra Marjolein
Institute for Theoretical Physics, Utrecht University, Leuvenlaan 4, 3584 CE Utrecht, The Netherlands.
Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
J Chem Phys. 2014 Oct 21;141(15):154903. doi: 10.1063/1.4897562.
We present a double-charge model for the interaction between parallel polarizable hard spherocylinders subject to an external electric field. Using Monte Carlo simulations and free-energy calculations, we predict the phase behaviour for this model as a function of the density and electric field strength, at a fixed length-to-diameter ratio L/D = 5. The resulting phase diagram contains, in addition to the well-known nematic, smectic A, ABC crystal, and columnar phases, a smectic C phase, and a low temperature crystal X phase. We also find a string fluid at low densities and field strengths, resembling results found for dipolar spheres.
我们提出了一个双电荷模型,用于描述平行可极化硬球柱体在外部电场作用下的相互作用。通过蒙特卡罗模拟和自由能计算,我们预测了该模型在固定长径比L/D = 5时,作为密度和电场强度函数的相行为。所得相图除了包含众所周知的向列相、近晶A相、ABC晶体相和柱状相外,还包含近晶C相和低温晶体X相。我们还在低密度和低场强下发现了一种弦流体,这与偶极球体的结果相似。