Predicting the self-assembly of a model colloidal crystal
Predicting the self-assembly of a model colloidal crystal
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DOI：
10.1039/c1sm05456b
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发表时间：
2011-01-01
期刊：
影响因子：
3.4
通讯作者：
Jack, Robert L.
中科院分区：
文献类型：
--
作者：
Klotsa, Daphne;Jack, Robert L.
我们研究了具有硬核的粒子的自组装（结晶）和各向同性的方井相互作用，使用蒙特卡罗方案来模拟过阻尼朗之万动力学。我们在组装的早期阶段测量相关函数和响应函数，并使用波动耗散定理分析结果，旨在预测哪些系统将成功自组装，哪些系统将陷入无序状态。早期相关性和响应测量是在发生显着结晶之前进行的，这表明动态测量对于测量系统的动态捕获倾向很有价值。
We investigate the self-assembly (crystallisation) of particles with hard cores and isotropic, square-well interactions, using a Monte Carlo scheme to simulate overdamped Langevin dynamics. We measure correlation and response functions during the early stages of assembly, and we analyse the results using fluctuation-dissipation theorems, aiming to predict which systems will self-assemble successfully and which will get stuck in disordered states. The early-time correlation and response measurements are made before significant crystallisation has taken place, indicating that dynamical measurements are valuable in measuring a system's propensity for kinetic trapping.