大学化学 >> 2026, Vol. 41 >> Issue (1): 253-263.doi: 10.12461/PKU.DXHX202506019

所属专题： 化学实验数字化设计竞赛获奖作品

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基于分子设计的3D打印超材料制备

郑璐1, 孙悦颖1, 丁欣1, 刘继涛1,2   

  1. 1 济南大学化学化工学院, 济南 250022;
    2 济南大学山东省耐极端环境特种化学品重点实验室, 济南 250022
  • 收稿日期:2025-06-03 录用日期:2025-09-16 发布日期:2025-12-30
  • 通讯作者: 刘继涛 E-mail:chm_liujt@ujn.edu.cn Jitao Liu
  • 基金资助:
    山东省本科教学改革研究项目(面上) (M2022103)；山东省科技型中小企业创新能力提升工程项目(2023TSGC0589)；济南大学科技计划项目(XKY1825)

Preparation of 3D Printed Metamaterials Based on Molecular Design

Lu Zheng1, Yueying Sun1, Xin Ding1, Jitao Liu1,2   

  1. 1 School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022, China;
    2 Shandong Provincial Key Laboratory of Extreme Environment-Tolerant Specialty Chemicals, University of Jinan, Jinan 250022, China
  • Received:2025-06-03 Accepted:2025-09-16 Published:2025-12-30
  • Contact: Jitao Liu E-mail:chm_liujt@ujn.edu.cn

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摘要： 作为21世纪最重要的科技成果之一，超材料概念的提出对物理、材料、光学、声学等学科产生了颠覆性的影响。本实验采用微观设计宏观制备思路，开展了基于分子设计的3D打印超材料制备，通过构建不同规模大小的微观碳笼分子模型，利用计算机仿真技术对3D打印超材料的制备过程、性能表现等进行模拟和预测，以指导实际的设计和制造，实现微观分子模型到宏观多孔材料的映射，探究微观碳笼结构与3D打印宏观超材料的性能关系。通过数字化设计精细调控超材料分子结构，优化其物理、化学与力学性能，结合3D打印参数优化，可制造出强度更高、韧性更好的结构件，应用于航空航天、汽车、高端装备等对材料力学性能要求极高的领域。利用数字化设计的优势，可以实现超材料的定制化制备。这种分子层面的微观结构设计与3D打印技术的宏观构件制备相结合的方法具有创新性，为超材料的设计和制造提供了新的思路，推动了化学实验数字化设计和应用，提高了化学实验数字化设计水平。

关键词: 数字化设计, 超材料, 3D打印, 吸能减震性能

Abstract: As one of the most significant scientific achievements of the 21st century, the concept of metamaterials has revolutionized multiple disciplines including physics, materials science, optics, and acoustics. This study presents a novel approach to preparing 3D-printed metamaterials through molecular design, employing a micro-to-macro fabrication strategy. By constructing carbon cage molecular models at varying scales and utilizing computational simulation techniques, we successfully simulated and predicted both the fabrication process and performance characteristics of 3D-printed metamaterials. This computational approach guides practical design and manufacturing, enabling the translation from microscopic molecular models to macroscopic porous materials while investigating the structure-property relationship between carbon cage architectures and macroscopic metamaterial performance. Through precise digital design of molecular structures, we optimized the physical, chemical, and mechanical properties of metamaterials. By combining molecular structure optimization with 3D printing parameter adjustment, we fabricated structural components with enhanced strength and toughness suitable for demanding applications in aerospace, automotive, and high-end equipment industries. The digital design approach further enables customized metamaterial fabrication. This innovative methodology, integrating molecular-level microstructure design with macroscopic component fabrication via 3D printing, provides new perspectives for metamaterial development while advancing digital design capabilities in chemical experimentation.

Key words: Digital design, Metamaterial, 3D printing, Energy-absorbing and shock-absorbing properties