Molecular Dynamics Simulation of Graphene/n-Octadecane Composite Phase Change Material on Cu Nano-surface

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In this work, Cu surface and amorphous n-octadecane composite system and Cu surface and graphene/n-octadecane composite system were constructed. By performing MD simulation, the microscopic behavior and interaction mechanism of alkane molecules in the system will be examined. The results may provide a microscopic mechanism explanation for the enhancement of thermal conductivity of CPCM by carbon nanomaterials and metal nanomaterials.

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