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

Published: 06-04-2021| Version 1 | DOI: 10.17632/62c5n9fw6g.1
Yan Zhou


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.