Edge Effect of Nanosheets and Temperature on Mechanical Properties of Metal Composites Reinforced with Graphene and Boron Nitride Nanosheets: A Molecular Dynamics Study

Today, metals such as copper, aluminum, and nickel are widely used in various industries due to their abundance and versatility. However, their relatively low tensile strength limits their use in certain applications. This study compares and investigates metal nanocomposites (aluminum, copper, and nickel) reinforced with graphene and boron nitride nanosheets using molecular dynamics simulations. The effects of nanoplate edges and temperature on the mechanical properties of the nanocomposites are examined. The results show that among the metal nanocomposites, nickel nanocomposites reinforced with graphene nanosheets exhibited higher toughness and Young’s modulus, measured at ۵۸ MPa and ۲۴۱ GPa, respectively. For copper nanocomposites reinforced with graphene, these values were ۴۸.۲ MPa and ۱۴۱ GPa, while for aluminum nanocomposites, they were ۲۸ MPa and ۱۳۱ GPa. Young’s modulus, tensile strength, and toughness decreased with increasing temperature. In addition, among the metal nanocomposites reinforced with graphene nanoplates (armchair and zigzag) and boron nitride nanoplates (armchair and zigzag), those reinforced with graphene nanoplates (armchair and zigzag) showed higher Young’s modulus, toughness, and tensile strength. Also, by comparing the RDF (radial distribution function) of metal nanocomposites reinforced with graphene and boron nitride nanosheets, it was observed that the strongest interaction between metal atoms and nanosheet atoms occurs in nickel nanocomposites reinforced with armchair graphene. In contrast, the weakest interaction was found in aluminum nanocomposites reinforced with zigzag boron nitride nanoplates. Molecular dynamics simulations are essential for studying the mechanical properties of nanocomposites before experimental manufacturing, helping reduce costs and optimize material design. They provide nanoscale insights that enhance understanding and enable the development of more efficient and reliable metal nanocomposites.

کلیدواژه ها:

Metal nanocomposites ، Graphene ، Boron nitride ، Mechanical properties ، Edge effect