聚合物-金属混合结构成型技术是实现材料轻量化的重要手段，在新能源汽车、智能电子产品等领域正受到广泛关注。聚合物-金属直接注射成型技术作为成型聚合物-金属混合结构中最具优势的技术手段，目前存在着界面粘接机理尚不明确、混合结构粘接强度不足等问题，技术发展受到制约。为此，本项目提出基于分子动力学理论的微观分析方法，聚焦界面粘接过程的微观机理、聚合物界面结晶形态变化及翘曲变形机制等科学前沿问题。重点研究聚合物-金属界面浸润接触特性和非键结作用生产机理，掌握界面化学结合微观机理；继而分析不同尺度下聚合物及纤维增强材料在粗糙结构表面的充填规律和机械铆接结构形成过程；最终结合金属表面阳极氧化和快速变模温技术，研究聚合物-金属混合结构注射成型技术及粘接强度影响机制。项目研究旨在探索聚合物-金属混合结构注射成型的界面粘接微观理论和新型技术，对大力发展轻量化技术、践行节能减排新路线具有重要意义。

Polymer-metal hybrid (PHM) structure molding technology is an important method to manufacture lightweight structure. It is drawing widespread attention in the fields of new energy vehicles, intelligent electronic products and etc. Direct injection molding technology is regarded as the most advantageous technologies in fabricating polymer-metal hybrid structure. However, there are some problems that defect the rapid development of this technique. Interface bonding mechanism is still unclear and the bonding strength of hybrid structure is not strong enough. In order to solve these problems, a novel analysis method based on molecular dynamics theory is proposed in this research project, mainly focusing on the mechanism of the interface bonding process in micro-scale, the crystal morphology of the polymer interface and the warping deformation mechanism and other scientific issues. The contact mechanism and non-bonded interaction of polymer-metal interface will be investigated to understand of chemical bonding at the interface. The filling regulation of polymer or fiber-reinforced material on the rough surface will be studied and the formation of mechanical interlocking structure will be analyzed. By utilizing the anodic oxidation technology on metallic surface and dynamic temperature technology on mold surface, the injection molding technology for polymer-metal hybrids and bonding strength of the mechanism will be studied thoroughly. The purpose of the project is to explore the microscopic theories and new technologies of interfacial bonding for injection molding of polymer-metal hybrid structure, which is of great significance for developing light-weight technology and practicing the new route for energy-saving and emission-reduction.