Yener Arzu B, Klapp Sabine H L
Institute of Theoretical Physics, Technical University Berlin, Hardenbergstr. 36, 10625 Berlin, Germany.
Soft Matter. 2016 Feb 21;12(7):2066-75. doi: 10.1039/c5sm02648b. Epub 2016 Jan 15.
We consider a model of colloidal spherical particles carrying a permanent dipole moment which is laterally shifted out of the particles' geometrical centres, i.e. the dipole vector is oriented perpendicular to the radius of the particles. Varying the shift δ from the centre, we analyse ground state structures for two, three and four hard spheres, using a simulated annealing procedure. We also compare earlier ground state results. We then consider a bulk system at finite temperatures and different densities. Using molecular dynamics simulations, we examine the equilibrium self-assembly properties for several shifts. Our results show that the shift of the dipole moment has a crucial impact on both the ground state configurations as well as the self-assembled structures at finite temperatures.
我们考虑一种胶体球形颗粒模型，这些颗粒带有永久偶极矩，该偶极矩横向偏离颗粒的几何中心，即偶极矢量垂直于颗粒半径方向。通过改变偏离中心的位移δ，我们使用模拟退火程序分析了两个、三个和四个硬球的基态结构。我们还比较了早期的基态结果。然后，我们考虑处于有限温度和不同密度下的体系统。通过分子动力学模拟，我们研究了几种位移情况下的平衡自组装特性。我们的结果表明，偶极矩的位移对基态构型以及有限温度下的自组装结构都有至关重要的影响。
