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Two-dimensional Janus-like particles on a triangular lattice.
Soft Matter ( IF 3.4 ) Pub Date : 2020-06-15 , DOI: 10.1039/d0sm00656d
A Patrykiejew 1 , W Rżysko 1
Affiliation  

We have studied the phase behavior of a two-dimensional system of Janus-like particles on a triangular lattice using the Monte Carlo method in a grand canonical ensemble. Assuming that each particle can take on only one of the six orientations, two versions of the model have been considered. In the first version, the strength of attractive interactions has been assumed to depend on the degree to which the attractive patches of neighboring particles overlap. In the second version, it has been assumed that it is the same for any mutual orientations, in which the attractive patches overlap. It has been demonstrated that both models lead to qualitatively different phase behaviors. In the case of the first model, the self-assembly leads to different stripped structures depending on the density and temperature. In particular, we have found that, at sufficiently low temperatures, condensation leads from a very dilute lamellar gas phase to a high density zigzag phase. At intermediate temperatures, the system undergoes two first-order phase transitions, while, at sufficiently high temperatures, only one continuous transition takes place. The phase diagram has been estimated. In the case of the second model, we have found only one first-order transition at low temperatures. This transition occurs between a dilute gas-like phase and the ordered phase, which forms a kagome lattice of density equal to 6/7. A further increase of the density has been demonstrated to lead to the reorientation of particles and the formation of a dense glass-like structure.

中文翻译:

三角形晶格上的二维Janus状颗粒。

我们已经使用蒙特卡洛方法在一个大正则系综中研究了三角形晶格上的Janus样颗粒的二维系统的相态行为。假设每个粒子只能采用六个方向之一,则考虑了该模型的两个版本。在第一个版本中,已经假定吸引力相互作用的强度取决于相邻粒子的吸引力块重叠的程度。在第二版本中,已经假定对于有吸引力的斑块重叠的任何相互定向都是相同的。已经证明,两种模型都导致定性不同的相行为。在第一个模型的情况下,根据密度和温度,自组装会导致不同的剥离结构。特别是,我们发现,在足够低的温度下,冷凝会从非常稀的层状气相转变为高密度的之字形相。在中间温度下,系统经历两个一阶相变,而在足够高的温度下,仅发生一个连续相变。相图已估算。在第二个模型的情况下,我们发现低温下只有一个一阶跃迁。这种过渡发生在稀薄的气相和有序相之间,形成了密度等于6/7的kagome晶格。已经证明密度的进一步增加导致颗粒的重新取向和致密的玻璃状结构的形成。该系统经历了两个一阶相变,而在足够高的温度下,仅发生了一个连续相变。相图已估算。在第二个模型的情况下,我们发现低温下只有一个一阶跃迁。这种过渡发生在稀薄的气相和有序相之间,形成了密度等于6/7的kagome晶格。已经证明密度的进一步增加导致颗粒的重新取向和致密的玻璃状结构的形成。该系统经历了两个一阶相变,而在足够高的温度下,仅发生了一个连续相变。相图已估算。在第二个模型的情况下,我们发现低温下只有一个一阶跃迁。这种过渡发生在稀薄的气相和有序相之间,形成了密度等于6/7的kagome晶格。已经证明密度的进一步增加导致颗粒的重新取向和致密的玻璃状结构的形成。这种过渡发生在稀薄的气相和有序相之间,形成了密度等于6/7的kagome晶格。已经证明密度的进一步增加导致颗粒的重新取向和致密的玻璃状结构的形成。这种过渡发生在稀薄的气相和有序相之间,形成了密度等于6/7的kagome晶格。已经证明密度的进一步增加导致颗粒的重新取向和致密的玻璃状结构的形成。
更新日期:2020-07-22
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