Simulation of Liquid Crystal Elastomers

液晶弹性体(LCEs)是由具有取向有序的侧链和主链介晶棒的弱交联液晶聚合物组成的橡胶。LCES的显著特性是取向有序和机械变形之间的耦合，这使得这些橡胶对外界刺激非常敏感，如光照和其他应用领域，导致大而快速的形状变形。在过去的十年中，LCES已经取得了大量的实验和理论结果。然而，对LCEs的完整表征仍然是未知的，特别是对于LCEs的动态响应。最近，这位研究人员和他的合作者提出了一个非局域连续介质模型来理解向列相LCEs的动力学。对该模型的模拟结果表明，该模型能够很好地捕捉到LCES的形状变化现象和实际实验观察到的LCES的其他特征。该模型为进一步探索LCES的动力学提供了坚实的基础。然而，由于LCE戏剧性响应背后的物理过程的内在复杂性，该模型的数值处理是非常具有挑战性的。在这个项目中，研究人员致力于开发高效和可靠的数值方法来求解源自所提出的向列相LCES模型的方程。该项目的成功将为增进对LCEs的了解提供重要工具。此外，深入了解液晶弹性体的动态响应对于其在传感器、执行器、可变形自适应光学元件、微流体泵等方面的技术应用是至关重要的。LCES的显著特征是相对较小的外部效应，如温度或光照的变化，可能会导致大而快速的形状变形。由于这一显著的性质，液晶发光二极管具有实际技术应用的潜力，包括传感器、致动器、可变形自适应光学元件、微流体泵等。为了充分利用这些材料，研究人员和他的合作者已经提出了一个数学模型，可以成功地捕捉液晶发光二极管的许多动态特征，如形状变化现象。然而，由于LCES戏剧性响应背后的物理过程的内在复杂性，所提出的模型的理论研究和模拟都非常具有挑战性。在这个项目中，研究人员试图为模拟开发有效和可靠的数值方法。这项研究的成功将为提高对LCEs的理解提供有力的工具，而对这些材料的深入理解对于这些材料的真正技术应用是至关重要的。此外，研究中开发的方法将对其他相关复杂软物质系统的建模有用，因此在计算材料科学界将具有持久的价值。

Liquid crystal elastomers (LCEs) are rubbers that are comprised of weakly cross-linked liquid crystal polymers with orientationally ordered side-chain and main-chain mesogenic rods. The remarkable property of LCEs is the coupling between orientation order and mechanical deformation, which makes these rubbers very sensitive to external stimuli, such as illumination and other applied fields, leading to large and fast shape deformations. A great deal of the experimental and theoretical results on LCEs has been obtained during the last decade. However, a full characterization of LCEs still remains elusive, especially for the dynamic responses of LCEs. Recently, the investigator and his collaborators proposed a non-local continuum model to understand the dynamics of nematic LCEs. The simulation of the model demonstrated that the proposed model can successfully capture shape changing phenomena and some other features of LCEs that were observed from real experiments. The model thus provides a solid basis for further exploration of the dynamics of LCEs. However, due to the intrinsic complexity of the physical processes underlying the dramatic responses of LCEs, the numerical treatment of the model is very challenging. In this project, the investigator focuses on developing efficient and reliable numerical methods for solving the derived equations originating from the proposed model on nematic LCEs. The success of this project will provide an important tool to enhance the understanding of LCEs. Further, the deep understanding of the dynamic responses of LCEs is crucial to their technological applications including sensors, actuators, deformable adaptive optical elements, micro-fluidic pumps, etc.Liquid crystal elastomers (LCEs) are soft complex materials. The salient feature of LCEs is that relatively small external effects, such as changes in temperature or onset of illumination, can result in large and fast shape deformations. Due to this remarkable property, LCEs have the potential for real technological applications including sensors, actuators, deformable adaptive optical elements, micro-fluidic pumps, etc. To fully exploit these materials, the investigator and his collaborators have already proposed a mathematical model that can successfully capture many dynamic features of LCEs, such as shape changing phenomena. However, due to the intrinsic complexity of the physical processes underlying the dramatic responses of LCEs, both theoretical study and simulation of the proposed model are very challenging. In this project, the investigator seeks to develop efficient and reliable numerical methods for the simulation. The success of the research will provide a powerful tool to improve the understanding of LCEs, and the deep understanding is essential to the real technological applications of these materials. Moreover, the methods developed in the research will be useful for the modeling of other related complex soft matter systems, and will therefore have a lasting value in the computational materials science community.