Orellana Alberto Giacomo, Romani Emanuele, De Michele Cristiano
Dipartimento di Fisica, "Sapienza" Università di Roma, P.le A. Moro 2, 00185, Roma, Italy.
Eur Phys J E Soft Matter. 2018 Apr 16;41(4):51. doi: 10.1140/epje/i2018-11657-0.
The hard cylinder model decorated with attractive patches proved to be very useful recently in studying physical properties of several colloidal systems. Phase diagram, elastic constants and cholesteric properties obtained from computer simulations based on a simple hard cylinder model have been all successfully and quantitatively compared to experimental results. Key to these simulations is an efficient algorithm to check the overlap between hard cylinders. Here, we propose two algorithms to check the hard cylinder overlap and we assess their efficiency through a comparison with an existing method available in the literature and with the well-established algorithm for simulating hard spherocylinders. In addition, we discuss a couple of optimizations for performing computer simulations of patchy anisotropic particles and we estimate the speed-up which they can provide in the case of patchy hard cylinders.
最近，事实证明，带有吸引性斑块的硬圆柱体模型在研究几种胶体系统的物理性质方面非常有用。基于简单硬圆柱体模型的计算机模拟所获得的相图、弹性常数和胆甾相性质，均已成功且定量地与实验结果进行了比较。这些模拟的关键在于一种有效的算法，用于检查硬圆柱体之间的重叠情况。在此，我们提出两种用于检查硬圆柱体重叠的算法，并通过与文献中现有的一种方法以及用于模拟硬球圆柱体的成熟算法进行比较，来评估它们的效率。此外，我们讨论了对斑片状各向异性粒子进行计算机模拟的几种优化方法，并估计了它们在斑片状硬圆柱体情况下所能提供的加速效果。
