具有规则四面体贴片装饰的粒子形成的竞争有序结构
Competing ordered structures formed by particles with a regular tetrahedral patch decoration
摘要：
本文研究了在胶体表面形成正四面体的片状粒子的有序平衡结构。使用基于进化算法思想的优化技术，我们确定可能的候选结构。我们不仅保留了能量上最有利的晶格，而且还包括了一些能量上不太有利的粒子排列（即，焓图上的局部最小值）。使用适当开发的Monte Carlo模拟技术在NPT合奏，我们沿着选定的等压线和等温线，从而确定各自的稳定范围内，这些候选结构的热力学性质进行评估。我们在定量水平上证明，在给定状态点处的平衡结构是由熵、能量（即，格和）和填充。
英文摘要：
We study the ordered equilibrium structures of patchy particles where the patches are located on the surface of the colloid such that they form a regular tetrahedron. Using optimization techniques based on ideas of evolutionary algorithms we identify possible candidate structures. We retain not only the energetically most favourable lattices but also include a few energetically less favourable particle arrangements (i.e., local minima on the enthalpy landscape). Using suitably developed Monte Carlo based simulations techniques in an NPT ensemble we evaluate the thermodynamic properties of these candidate structures along selected isobars and isotherms and identify thereby the respective ranges of stability. We demonstrate on a quantitative level that the equilibrium structures at a given state point result from a delicate compromise between entropy, energy (i.e., the lattice sum) and packing.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
