中文摘要：

Janus粒子由于其表面性质与形状特征的不对称性而展现出独特的力学、光学、电学、磁学和表面两亲性能,在构筑复杂组装结构及设计新型功能材料方面有着广阔的应用前景.本文主要从计算机模拟与理论分析的角度,结合相关实验体系,系统地总结了目前对含Janus粒子组装体的体系构筑、结构调控及材料功能等的相关研究进展.从Janus粒子自组装结构的精确构筑与动态响应性、界面结构的熵驱调控、非平衡组装动力学及含Janus粒子组装体功能的模拟与预报等4个方面,详细阐述了Janus粒子的复杂多级组装结构及其背后蕴含的热力学与动力学的机理,并介绍了一系列基于含Janus粒子组装体的聚合物基复合材料独特的功能及其潜在应用.在此基础上,指出合理设计Janus粒子的非对称性质以及巧妙调控组装体内的熵、焓平衡,是控制其多级组装结构,进而开发相应新型功能材料的关键,并对Janus粒子未来的理论和模拟研究趋势进行了展望.

英文摘要：

Due to the asymmetry of surface properties and shape features, Janus particles exhibit unique mechanical, optical, electrical, magnetic and amphiphilic properties, thereby demonstrating broad prospects for applications with respect to the construction of complex-assembled structures and the design of novel functional materials. In this review, recent progress on the rational design, tailored superstructures, and functionalities of self-assembling systems with Janus particles is systematically summarized, focusing on the perspective of simulation and theoretical analyses. From the aspects of the precise construction of the assembled structures and corresponding dynamic responses, entropy-driven regulation of the interracial structures, nonequilibrium assembling dynamics, and the simulation and prediction of functionalities of the building blocks of Janus particles, the thermodynamic and kinetic mechanisms of the hierarchical assembled structures of Janus particles are elucidated, and the functionalities and potential applications of the polymer-matrix composites are introduced. Further, it is pointed out that the rational design of the asymmetric properties and the delicate control of the thermodynamic equilibrium of composites of Janus particles are the key to developing correspondingly novel functional materials. The future development and challenges of Janus particles are described finally.