Dislocation-graphene interactions in Cu/graphene composites and the effect of boundary conditions: a molecular dynamics study

Investigating size effects in graphene–BN hybrid monolayers: a combined density functional theory-molecular dynamics study

“…[38][39][40][41][42] Another common approach to modulate the physicalchemical properties of 2D materials is to use strain engineering, where the properties of a material are modied via controlled mechanical deformation. [43][44][45][46][47] This can be accomplished, for example, through the application of tensile stress. [48][49][50][51] Depending on the direction and magnitude of this stress, the material can be bent, wrinkled, stretched, or even broken.…”

Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study

“…Recently, graphene-reinforced metal matrix composites (GMMCs) have been studied by considerable research efforts and have been shown to exhibit pronounced potential as the next generation functional and structural materials [ 15 , 16 , 17 , 18 ]. To date, graphene as the reinforcing phase has been added into a series of metal matrices, such as Al [ 19 , 20 ], Cu [ 21 , 22 ], Ni [ 23 , 24 ], Co [ 25 ], Ti [ 26 ], Mg [ 27 ], Ag [ 28 ], Fe [ 29 ], W [ 30 ], V [ 31 ], Al alloys [ 32 , 33 ], Mg alloys [ 34 ], Sn alloy [ 35 ], Ni–Al alloy [ 36 ], Ti–Al alloy [ 37 ], and W–Cu alloy [ 38 ]. Nevertheless, many challenges still need to be overcome in the practical applications of graphene/metal composites.…”

Effect of Nanoparticle Size on the Mechanical Strength of Ni–Graphene Composites

“…Therefore, theoretical scientific research based on molecular dynamics (MD) simulation is widely used. The simulation allows us to analyze at the atomic level the dislocations evolution at the Cu/graphene interface [ 24 , 44 ], to estimate the tensile capacity of carbon nanotube/Al composites [ 45 ], to study the effect of aluminum orientation on the strengthening mechanisms of graphene/Al composites [ 46 ], and to predict the existence of metal/graphene composites based on crumpled graphene [ 39 , 47 ] and much more. Using MD simulation, it was also found that the addition of carbon materials (such as graphene or carbon nanotubes) to a metal matrix leads to its strengthening [ 26 , 48 , 49 , 50 , 51 ].…”

“…In most theoretical [ 24 , 26 , 41 , 42 , 43 , 44 , 45 , 46 , 48 , 49 , 50 , 51 ] and experimental works [ 6 , 7 , 8 , 9 , 11 , 12 , 23 , 25 , 27 , 28 , 29 ], metal–matrix composites with a small addition of carbon structures of different morphologies are considered while carbon–matrix composites with metal nanoparticles are poorly studied. Therefore, it is urgent to develop a technology for obtaining a similar type of composites, to study their mechanical properties, and to determine the mechanisms of deformation.…”