In this study, the mechanical and thermal properties of graphene were systematically investigated using molecular dynamic simulations. The effects of temperature, strain rate and defect on the mechanical properties, including Young’s modulus, fracture strength and fracture strain, were studied. The results indicate that the Young’s modulus, fracture strength and fracture strain of graphene decreased with the increase of temperature, while the fracture strength of graphene along the zigzag direction was more sensitive to the strain rate than that along armchair direction by calculating the strain rate sensitive index. The mechanical properties were significantly reduced with the existence of defect, which was due to more cracks and local stress concentration points. Besides, the thermal conductivity of graphene followed a power law of λ~L^0.28, and decreased monotonously with the increase of defect concentration. Compared with the pristine graphene, the thermal conductivity of defective graphene showed a low temperature-dependent behavior since the phonon scattering caused by defect dominated the thermal properties. In addition, the corresponding underlying mechanisms were analyzed by the stress distribution, fracture structure during the deformation and phonon vibration power spectrum.

In this study, the formability of woven carbon-fiber (CF)-reinforced polyether-ether-ketone (PEEK) composite sheets in the solid-state thermoforming process were investigated, and the failure mechanisms were discussed. The formability of the woven CF/PEEK sheets were analyzed using flexural tests, Erichsen test, and microscopic observation. The results show that the formability of CF/PEEK sheets significantly increases as the temperature rises from 165 to 325 °C, and slightly decreases as the deformation speed rises from 2 to 120 mm/min. The deformation of the sheets is caused by plastic deformation, shear deformation and squeeze deformation, without plastic thinning and fiber slippage, which is due to the restriction of the solid matrix and locked fibers. Moreover, the wrinkles will cause fiber fracture at lower temperatures and delamination at higher temperatures. At higher temperatures, the wrinkles mainly occur at the position with [0°/90°] fibers due to the squeezing of the matrix and fibers.

In this study, the flexural behavior and fracture mechanisms of short carbon fiber reinforced polyether-ether-ketone (SCFR/PEEK) composites at various ambient temperatures were investigated. First, the crystallinity and glass transition temperature (T_g) of PEEK and SCFR/PEEK were analyzed by differential scanning calorimetry analysis and dynamic mechanical analysis tests, respectively. The addition of SCFs increases the T_g but does not change the crystallinity of the PEEK matrix. Then, the three-point flexural tests of PEEK and SCFR/PEEK were performed over the temperature range of 20 to 235 °C, and the temperature-dependencies of the flexural properties of PEEK and SCFR/PEEK were discussed in detail. Finally, the microstructure of SCFR/PEEK was observed using a digital microscope and scanning electron microscope. The results show that the tension crack occurs first, and the crack extends upward leading to the shear crack and compression crack at room temperature. The fracture of SCFR/PEEK is mainly due to the extraction and rupture of SCFs. At high temperatures (above T_g), the tension crack and compression crack both occur, and the strong ductility of the matrix prevents the generation of shear crack. The fracture of SCFR/PEEK is mainly due to the rotation and extraction of SCFs, while the SCFs rupture plays a minor role.

Due to its superior mechanical properties, graphene (Gr) has the potential to achieve high performance polymer-based nanocomposites. Previous studies have proved that defects in the Gr sheets could greatly reduce the mechanical properties of Gr, while the Stone-Wales (SW) defect was found to enhance the interfacial mechanical strength between Gr and epoxy. However, the combined effects of defects on the overall mechanical properties of Gr/epoxy nanocomposites have not been well understood. In this paper, the effect of the SW defect on the mechanical properties of Gr/epoxy nanocomposites was systematically investigated by using molecular dynamic simulations. The simulation results showed that the SW defect would degrade the mechanical properties of nanocomposites, including the Young’s modulus and in-plane shear modulus. Surprisingly, the transverse shear modulus could be remarkably enhanced with the existence of SW. The reinforcing mechanisms were mainly due to two aspects: (1) the SW defect could increase the surface roughness of the Gr, preventing the slippage between Gr and epoxy during the transverse shea; and (2) the nanocomposite with defective Gr enables a higher interaction energy than that with perfect graphene. Additionally, the effects of temperature, the dispersion and volume fraction of Gr were also investigated.