Varma Vikki Anand, Malhotra Isha, Babu Sujin B
Out of Equilibrium Group, Department of Physics, Indian Institute of Technology Delhi, New Delhi 110016, India.
Phys Rev E. 2022 Jul;106(1-1):014602. doi: 10.1103/PhysRevE.106.014602.
In the present paper, we have extended the simulation technique Brownian cluster dynamics (BCD) to analyze the dynamics of the binary mixture of hard ellipsoids and spheres. The shape dependent diffusional properties have been incorporated into BCD using Perrin's factor and compared with analytical results of a one-component ellipsoidal system. We have investigated pathways to enhance the diffusivity of spheroids in the binary mixture by manipulating the phase behavior of the system through varying the fraction of spheres in the binary mixture. We show that at low volume fraction the spherical particles have a higher diffusion coefficient than the ellipsoids due to the higher friction coefficient. However, at a higher volume fraction, we show that the diffusion coefficient of the ellipsoids increases irrespective of the aspect ratio due to the anisotropic shape.
在本文中，我们扩展了模拟技术——布朗簇动力学（BCD），以分析硬椭球体与球体二元混合物的动力学。利用佩兰因子将形状依赖的扩散特性纳入BCD，并与单组分椭球体系的分析结果进行比较。我们通过改变二元混合物中球体的分数来操纵体系的相行为，研究了提高二元混合物中球体扩散率的途径。我们表明，在低体积分数下，由于摩擦系数较高，球形颗粒的扩散系数高于椭球体。然而，在较高体积分数下，我们表明，由于形状的各向异性，椭球体的扩散系数会增加，而与纵横比无关。
