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We need a way to initialize systems and run simulations that will help us model carbon fiber wetting. I have an mbuild function that will generate orthogonal sheets of graphene layers that we can use in the simulation volume. We'd have to make sure to adjust box sizes in a way that account for the desired density of the polymer melt (i.e. expand the box by the thickness of the fiber sheets).
The text was updated successfully, but these errors were encountered:
We need a way to initialize systems and run simulations that will help us model carbon fiber wetting. I have an mbuild function that will generate orthogonal sheets of graphene layers that we can use in the simulation volume. We'd have to make sure to adjust box sizes in a way that account for the desired density of the polymer melt (i.e. expand the box by the thickness of the fiber sheets).
The text was updated successfully, but these errors were encountered: