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首页> 外文期刊>The Journal of Chemical Physics >Equilibrium crystal phases of triblock Janus colloids
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Equilibrium crystal phases of triblock Janus colloids

机译：Triblock Janus胶体的平衡结晶阶段

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摘要

Triblock Janus colloids, which are colloidal spheres decorated with attractive patches at each pole, have recently generated significant interest as potential building blocks for functional materials. Their inherent anisotropy is known to induce self-assembly into open structures at moderate temperatures and pressures, where they are stabilized over close-packed crystals by entropic effects. We present a numerical investigation of the equilibrium phases of triblock Janus particles with many different patch geometries in three dimensions, using Monte Carlo simulations combined with free energy calculations. In all cases, we find that the free energy difference between crystal polymorphs is less than 0.2 kBT per particle. By varying the patch fraction and interaction range, we show that large patches stabilize the formation of structures with four bonds per patch over those with three. This transition occurs abruptly above a patch fraction of 0.30 and has a strong dependence on the interaction range. Furthermore, we find that a short interaction range favors four bonds per patch, with longer range increasingly stabilizing structures with only three bonds per patch. By quantifying the effect of patch geometry on the stability of the equilibrium crystal structures, we provide insights into the fundamental design rules for constructing complex colloidal crystals. Published by AIP Publishing.
机译：Triblock Janus胶体，这些胶体是每个杆上装饰有吸引力的贴片的胶体球，最近对功能材料的潜在构件块产生了显着的兴趣。已知其固有的各向异性以在适度的温度和压力下诱导自组装成开放结构，其中它们通过熵效应稳定在近填充的晶体上。我们在三维中，使用蒙特卡罗模拟结合自由能量计算，对三维三维甘蓝颗粒的平衡阶段进行了数值研究。在所有情况下，我们发现晶体多晶型物之间的自由能量差小于0.2kBT。通过改变贴片分数和相互作用范围，我们表明大斑块稳定在具有三个粘合剂的四个键的形成结构的形成。这种过渡突然出现在0.30的贴片分数之上，并且对相互作用范围具有很强的依赖性。此外，我们发现短互动范围有利于每个贴片四个键，较长的范围越来越稳定，每个贴片只有三个键。通过量化贴剂几何形状对平衡晶体结构稳定性的影响，我们提供了构建复杂胶体晶体的基本设计规则的见解。通过AIP发布发布。

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