Alloy ratio to improve the heat transport of Gr/Fe x (NiCrCoCu) y heterointerface

We investigate the heat transport of Graphene (Gr)/High-Entropy Alloys (HEA)-Fe x (NiCrCoCu) y with different alloy ratios. The Interfacial Thermal Conductivity (ITC) of Gr/HEA is calculated using Molecular Dynamics (MD) simulations based on varying alloy ratios (Fe content is changed). The results show that ITC exhibits a non-monotonic trend with increasing Fe content (alloy ratio is changed). The mechanism of ITC variation based on Phonon Density of States (PDOS) and phonon coupling coefficient (S) is explained. Our research results guide the improvement of the heat dissipation capabilities of HEA-based micro/nanoelectronic devices. In future research, we will further explore the thermal conductivity characteristics of Gr/HEA heterointerfaces through interface engineering (graphene layer number, defect type, and third-group elements), providing more comprehensive theoretical and data support for the design of next-generation HEA-based micro/nanoelectronic devices.