Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres.
Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres.
复制标题
布朗硬盘的体积动力学：动态密度泛函理论与二维胶体硬球的实验。
DOI：
10.1063/1.5019447
复制
发表时间：
2018
期刊：
影响因子：
--
通讯作者：
R. Roth
中科院分区：
文献类型：
--
作者：
Daniel Stopper;A. L. Thorneywork;R. Dullens;R. Roth
利用动态密度泛函理论（DDFT），我们从理论上研究了硬盘的布朗自扩散和结构弛豫，并与准二维胶体硬球的实验结果进行了比较。为此，我们通过将最近提出的三维系统 DDFT 方法扩展到二维来计算自范霍夫相关函数和独特的范霍夫相关函数。我们发现，van Hove 函数的自部分和独特部分的理论结果与实验具有非常好的定量一致性，最高流体填充分数约为 0.60。然而，在更高的密度下，实验与理论方法之间的偏差变得清晰可见。在实验中，随着堆积分数的增加，短时自扩散行为受到流体动力学效应的强烈影响，并导致相应的均方位移显着下降。相比之下，根据之前的模拟研究，目前的 DDFT 忽略了流体动力学效应，表明该量与粒子密度无关。
Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity.
3D 流体动力学相互作用导致 2D 扩散发散
DOI：
10.1088/0953-8984/27/19/194113
发表时间：
2015
期刊：
Journal of Physics: Condensed Matter
影响因子：
--
作者：
J. Bleibel;A. Domínguez;M. Oettel
通讯作者：
M. Oettel
影响因子：
8.6
作者：
T. Skinner;D. Aarts;R. Dullens
通讯作者：
T. Skinner;D. Aarts;R. Dullens
影响因子：
8.6
作者：
Daniel de las Heras;Matthias Schmidt
通讯作者：
Matthias Schmidt