片状粒子聚集体中有序的先驱体
Precursors of order in aggregates of patchy particles
摘要：
我们研究计算的局部结构的聚集系统的斑块颗粒。通过计算各种转动不变量的概率分布函数，我们可以识别出非晶相取向有序的前兆。令人惊讶的是，观察到最强的签名的局部秩序的四面体对称的4-补丁粒子，而不是6-补丁粒子的立方。这种趋势与已知的结晶能力正好相反。我们将这种异常的观察，一个通用的聚合物的补丁系统的协调数接近4。我们的研究结果还表明，在所研究的液体与相应的结晶相的旋转顺序之间的显着相关性，使这种方法可能适用于更广泛的补丁系统。
英文摘要：
We study computationally the local structure of aggregated systems of patchy particles. By calculating the probability distribution functions of various rotational invariants we can identify the precursors of orientation order in amorphous phase. Surprisingly, the strongest signature of local order is observed for 4-patch particles with tetrahedral symmetry, not for 6-patch particles with the cubic one. This trend is exactly opposite to their known ability to crystallize. We relate this anomaly to the observation that a generic aggregate of patchy systems has coordination number close to 4. Our results also suggest a significant correlation between rotational order in the studied liquids with the corresponding crystalline phases, making this approach potentially useful for a broader range of patchy systems.
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