论文标题

偶极粒子系统中结晶和定向排序的动力学

Kinetics of Crystallization and Orientational Ordering in Dipolar Particle Systems

论文作者

Xu, Xian-Qi, Laird, Brian B., Hoyt, Jeffrey J., Asta, Mark, Yang, Yang

论文摘要

胶体颗粒的自下而上组装的动力学机制已被广泛研究,以控制结晶途径并将生长引导到有针对性的上层建筑中,以进行包括光子晶体在内的应用。当前的工作是基于在具有短范围跨粒子相互作用的系统中以人体中心晶体晶体生长发展的最新进展,构成了晶体结构的更大多样性以及较长的相互作用的作用以及在极性系统中产生的自由度。我们解决了定向排序过程对影响这种极性系统晶体生长的重要性,从而超越了对先前研究中考虑的翻译排序过程的处理。该作品采用了全面的分子动力学模拟来解决关键的结晶过程,并用于基于时间依赖性的金兹堡 - 兰道理论的思想的定量理论框架的开发。潜在的定向排序对结晶动力学的显着影响可能有利用,以实现通过外部电场或磁场进行结晶动力学的转向。我们的合理理论/仿真方法为将来研究更复杂的结晶动力学提供了机会。

The kinetic mechanisms underlying bottom-up assembly of colloidal particles have been widely investigated in efforts to control crystallization pathways and to direct growth into targeted superstructures for applications including photonic crystals. Current work builds on recent progress in the development of kinetic theories for crystal growth of body-centered-cubic crystals in systems with short-range inter-particle interactions, accounting for a greater diversity of crystal structures and the role of the longer-ranged interactions and orientational degrees of freedom arising in polar systems. We address the importance of orientational ordering processes in influencing crystal growth in such polar systems, thus advancing the theory beyond the treatment of the translational ordering processes considered in previous investigations. The work employs comprehensive molecular-dynamics simulations that resolve key crystallization processes, and are used in the development of a quantitative theoretical framework based on ideas from time-dependent Ginzburg-Landau theory. The significant impact of orientational ordering on the crystallization kinetics could be potentially leveraged to achieve crystallization kinetics steering through external electric or magnetic fields. Our combined theory/simulation approach provides opportunities for future investigations of more complex crystallization kinetics.

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