Micro-Mechanism of Interfacial Separation and Slippage of Graphene/Aluminum Nanolaminated Composites

Abstract

Due to their excellent properties and two-dimensional geometry, graphenes (Grs) have been widely used as reinforced fillers in graphene/aluminum nanolaminated composite (GANC). The separation and slippage behavior of the GANC is highly dependent on the interfacial properties between Gr and aluminum (Al). In this study, two interfacial failures of GANCs, i.e., pull-up failure and pull-out failure, were investigated using a molecular dynamics (MD) method. The effects of the crystal orientation of single-crystal Al component and the geometry of the Gr component on the normal and shear interfacial properties of the GANC were examined. It was evident that the interfacial pull-up resistance resulted from the atomic forces of all the atoms at the interface, whereas the interfacial shear force during pull-out stems from the atomic forces of the atoms at the crack tip. In addition, the studies revealed that the interface bonding strength between the Gr and Al was sensitive to both the crystal orientation of the Al and the environmental temperature. Finally, the cohesive law was used to describe the interfacial behavior of the Gr and Al, providing the interfacial data for the finite element modeling of composites with Gr and Al interface.

Molecular dynamics simulation for interfacial properties of carbon nanotube reinforced aluminum composites

“…Similar observations have been made with (8,8) and (10,10) CNTs. Also, the references [7,8], and [11] found a similar trend.…”

“…Further, it was found that zig-zag CNTs have better pull-out resistance than chiral nanotubes while length and temperature have little effect on the interfacial shear stress. Zhu et al [11] examined the pull-up and pull-out failure of the CNT/graphene interface with MD and revealed that the pull-up resistance aroused from the forces of interfacial atoms, whereas the pull-out resistance was produced due to atomic forces of the atoms at the crack tip. Also, it was found that the crystal orientation of Al and the environmental temperature were the sensitive factors for interfacial strength.…”

Understanding neural network tuned Langevin thermostat effect on predicting thermal conductivity of graphene-coated copper using nonequilibrium molecular dynamics simulations

“…Since graphene also has much greater current density and thermal conductivity values than copper, copper overcomes this issue and provides the characteristics and opportunities to deliver the required thermal management by incorporating graphene. On the other hand, the orientation of graphene in composites significantly alters the thermal properties of graphenemetal materials, bringing different enhancements in nanocomposites [16][17][18][19][20][21]. Further studies are required to investigate the contribution of graphene to the thermal conductivity of graphene-copper nanomaterials.…”

A molecular dynamics simulation study on the role of graphene in enhancing the arc erosion resistance of Cu metal matrix

“…Graphene is a two-dimensional (2D) sheet consisting of covalently bonded sp 2hybridised carbon atoms with exceptional electrical, mechanical and thermal properties [15][16][17][18]. Graphene is considered an attractive reinforcement to enhance the mechanical properties (such as hardness and strength) of MMCs, including Gr-Cu [19][20][21][22][23][24][25], Gr-Cu-W [26], Gr-Fe [27], and Gr-Al [28][29][30]. Recent studies have shown that graphene can improve the arc erosion resistance of MMCs.…”