亚波长结构光热响应特性与调控机理

Micro/nanoscale radiation heat transfer is the international research frontier in the field of engineering thermophysics. It provides new ideas for light and heat regulation and efficient energy conversion of the micro-nano optoelectronic components. Because of the characteristics of surface plasmon polaritons and magnetic polarization, subwavelength structures can restrict and control light at deep subwavelength scales so that it attracts a wide range of scientific research of energy, information, materials and other areas. However, existing researches focus on specific structures such as gratings, microcavities and particles that are not systematic and unplumbed. The existing laws also show a large randomness and not universality by changing material properties, geometric dimensions and other single or composite means to achieve the regulation of solar radiation characteristics. This project intends to use the first principles based on density functional theory to study the optical properties and temperature dependence of typical subwavelength materials. With the help of electromagnetic theory, this project explains the near-field polarization caused by subwavelength structures and the formation of resonance mode, clarifies the coupling mechanism of thermal photons and subwavelength structures, migrates high-throughput computational concepts from the field of traditional genetic materials to the design of subwavelength structures and extracts the genome that determines the photothermal response of subwavelength structures. Thanks to the specific functions and properties, this project aims at optimizing the design of subwavelength structures with specific application areas.

微纳尺度辐射换热是当前工程热物理领域的国际前沿，并可为微纳光电元器件光热调控以及高效能量转换开辟新的思路。得益于表面等离激元、磁极化等性质，亚波长结构可以在深亚波长尺度上实现对光的约束与操纵，从而吸引了来自能源、信息、及材料等科研领域的广泛关注。已有的理论分析工作大多针对光栅、微腔和粒子等特定结构，通过改变材料属性和几何尺寸参数等单一或复合手段实现光热辐射特性的调控，设计结果仅针对该结构适用，不够系统和深入，缺乏普适通用的设计原理。本项目拟采用基于密度泛函理论的第一性原理研究典型低维材料的光学性质及其温度依变性，借助电磁理论解译亚波长结构引起的近场极化效应和共振模态形成原因，厘清热光子与亚波长结构的耦合作用机理，将传统材料基因领域的高通量计算理念迁移至亚波长结构材料设计中，提取决定亚波长结构光热响应特性的基因组，以特定功能、性质进行目标导向，结合具体应用领域提出亚波长结构设计原理和方法。

本项目对亚波长结构光热响应特性与调控机理开展研究，主要通过研究典型低维材料的光学性质及其温度依赖性，借助电磁理论解译亚波长结构引起的近场极化效应和共振模态形成原因，厘清热光子与亚波长结构的耦合作用机理，提取决定亚波长结构光热响应特性的基因组，结合具体应用领域提出亚波长结构设计原理和方法。项目结合太阳能高效转换由利用和航天器热控等领域，基于第一性原理方法探究材料本征的光学物性及其温度依变性，揭示了亚波长结构与光子耦合引起的近场极化效应和共振模态形成原因，建立了其几何参数和材料光学常数对不同激发机理引起的异常光热性能的影响规律，解析了亚波长结构光热性能的关联要素，得到了亚波长结构光热响应特性与调控机理，为具体应用领域提供理论指导。项目执行期间发表学术论文28篇、会议论文1篇、应邀作大会和主旨报告11次、授权国家发明专利11项，培养博士生9名、硕士生4名，项目负责人入选2019年度教育部国家高层次人才计划，研究成果获2021年度黑龙江省技术发明一等奖（序1）。