How do you calculate the electrical and mechanical properties like shear modulus, electrical resistivity, and conductivity of graphene and carbon nanotube composite materials?
You can read some articles that is dedicated to effective medium theory and effective parameters of polymer composites (like permittivity, conductiviy, modulus). But at this moment developed models don't give accurate results (comparing to experiment) especially at high content of filler.
There are several methods for calculating the electrical and mechanical properties of graphene and carbon nanotube composite materials, including:
It is important to note that the properties of graphene and carbon nanotube composites can be highly dependent on the specific preparation method and conditions used to make the materials, so results from different methods may not always be directly comparable.
Using density functional theory (DFT), I can calculate the electronic structure properties of materials, including the electrical resistivity and conductivity of graphene and carbon nanotube composites.
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