论文标题

相互作用的三元混合物形成形态形成的连续模型:模式的仿真研究

A Continuum Model for Morphology Formation from Interacting Ternary Mixtures: Simulation Study of the Formation and Growth of Patterns

论文作者

Lyons, Rainey, Muntean, Stela Andrea, Cirillo, Emilio N. M., Muntean, Adrian

论文摘要

我们的兴趣在于探索两个准抛物线偏微分方程的耦合非局部系统的能力,以产生相分离模式。所获得的模式在这里称为形态。我们的目标系统是在文献中得出的,这是由川崎动力学驱动的布鲁姆 - 类型的适当缩放相互作用粒子系统的严格流体动力极限。该系统以一种相当隐式的方式描述了三元混合物中的相互作用,这是在存在背景溶剂的情况下两种相互作用溶质的宏观对应物。我们的讨论是基于对系统平滑溶液的有限体积近似及其定量后处理的定性模拟的定性行为(相关和结构因子计算)。我们的结果表明,与在随机蓝光的水平上知道的相比,具有三个相互作用的物种的水平相比。获得的形态(形状,连通性等)的特性可以在例如有效有机太阳能电池的活动层设计中起关键作用。

Our interest lies in exploring the ability of a coupled nonlocal system of two quasilinear parabolic partial differential equations to produce phase separation patterns. The obtained patterns are referred here as morphologies. Our target system is derived in the literature as the rigorous hydrodynamic limit of a suitably scaled interacting particle system of Blume--Capel--type driven by Kawasaki dynamics. The system describes in a rather implicit way the interaction within a ternary mixture that is the macroscopic counterpart of a mix of two populations of interacting solutes in the presence of a background solvent. Our discussion is based on the qualitative behavior of numerical simulations of finite volume approximations of smooth solutions to our system and their quantitative postprocessing in terms of two indicators (correlation and structure factor calculations). Our results show many similar features compared to what one knows at the level of the stochastic Blume--Capel dynamics with three interacting species. The properties of the obtained morphologies (shape, connectivity, and so on) can play a key role in, e.g., the design of the active layer for efficient organic solar cells.

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