Abstract:
Materials Studio 7.0 has been used as a tool for finding the modulus and thermal conductivity
of nanocomposites. Two different computational models, single-layer graphene/nickel and carbon
nanotube/nickel composites have been examined to study the effect of nanofiller geometry on
Young’s modulus and thermal conductivity of these nanocomposites. Effect of increase in temperature
on Young’s modulus has also been predicted using MD. The results show that for the same
volume fraction (Vf), Young’s modulus of the SLGS/Ni composite is higher than that of the CNT/ Ni
composite, showing that SLGS is a better reinforcement than CNT for Ni-based composites.
