EFFECT OF THE PROPORTION OF METAL ATOMS ON THE MECHANICAL PROPERTIES OF THE NICKEL/CRUMPLED GRAPHENE COMPOSITE
10.25712/ASTU.1811-1416.2022.02.009
Keywords:
graphene, nickel nanoparticles, graphene-nickel composite, molecular dynamics, mechanical propertiesAbstract
The effect of the ratio of metal and carbon atoms on the mechanical properties of the nickel/graphene composite is studied by molecular dynamics simulation. Four structures with different proportion of nickel atoms from 1344 to 4992 are considered. The precursor of the composite is crumpled graphene, with the pores filled with nickel nanoparticles of different sizes. To obtain a composite, exposure at room temperature is used, followed by hydrostatic compression at 1000 K. It is shown that the resulting composite has good strength characteristics and high plasticity for any considered number of nickel atoms. However, with an increase in the number of nickel atoms in the system, the strength of the composite decreases. Therefore, to obtain a composite with improved mechanical properties, it is desirable to use small nanoparticles so that they can be evenly distributed inside the pores of crumpled graphene, facilitating the appearance of new chemical bonds between the individual elements of the composite.