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To explore the effect of doped with different functionalized carbon nanotubes on the dielectric constant temperature characteristics of epoxy resin nanocomposite, epoxy resin (EP) group nanocomposite doped with functionalized carbon nanotube (CNT) were designed through molecular dynamics (MD) simulation. Four EP/CNT models were established after pure epoxy resin model (EP/neat), doped with un-functionalized (UFCNT), amino amine functionalized (AFCNT), carboxyl functionalized (CFCNT), and hydroxyl functionalized (HFCNT), wherein functionalized CNT grafting eight functional groups, respectively. Dielectric constant at normal temperature (300 K) and temperature characteristics (260 - 400 K) were calculated under LAMMPS. The results indicate that the dielectric constant properties of the nanocomposite doped with CNT are improved compared with EP/neat. The relative dielectric constant of the nanocomposite doped with carbon nanotube is all lower than EP/neat. The composite doped with AFCNT (EP/AFCNT) shows the most obvious improvement including relative dielectric constant at 300 K reduced by 10.13%. Besides, EP/AFCNT decreases the most at each temperature, with maximum reduction percentage 11.9% and the minimum reduction percentage 10.1%.

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Molecular Dynamics Simulation of Dielectric Constant Temperature Characteristics of Cross-Linked Epoxy Resin/Functionalized Carbon Nanotube Nanocomposite