Programmable Woven Graphene Nanoribbons for Advanced Thermal Rectification Devices

Abstract

Thermal rectification materials, requiring nanoscale asymmetric structures, are essential for enhancing energy efficiency and thermal management. However, their development is hindered by limited tunability, size dependence, and complex manufacturing. To overcome these challenges, this theoretical study employs a nanoscale weaving approach, integrating machine learning and molecular dynamics simulations to design graphene nanoribbon-based asymmetric structures. The resulting infinite periodic woven system eliminates size effects while dynamically tuning the interface coupling strength, constraint ratio, and interlayer distance, achieving precise control of heat flow while preserving the intrinsic material properties of the building units. This strategy is predicted to achieve a thermal rectification ratio of 0.34~2.68, and the control range is 1.8 times higher than that of existing materials. The rectifying woven material is theoretically predicted to enhance the chip heat dissipation efficiency by 50%, the thermal regulation efficiency of smart clothing by 47%, and the cooling efficiency of buildings by 13%. This work establishes a predictive theoretical framework and design blueprint that paves the way for future experimental realization of widely tunable, size-independent thermal rectification nanomaterials.

Keywords

Thermal rectification / Woven structure / Machine learning / Modular design / Molecular dynamics simulation

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Funding

National Natural Science Foundation of China(Nos. 12372109)

Key Laboratory of Special Protective Textiles of Ministry of Education (Jiangnan University)(No. TZFH-24-004)

Fundamental Research Funds for Central Universities of the Central South University(2232024Y-01)

RIGHTS & PERMISSIONS

Donghua University, Shanghai, China