Hello Everyone:
Currently I am working on atomistic modelling of grain boundaries defects in CNTs therefore, I require a polycrystalline CNT. I have generated a polycrystalline graphene sheet with the help of Atomsk but now I am stuck at conversion of this sheet into CNT. Please suggest a good methodology or any software where it can be done easily. Thanks.
Thankyou Sir. I think that now it may help me to sail through this problem.
You can generate any type of nanotube by using "nanotube modeler" software.
Md. Rakib Hossain Sir, Thankyou for your reply but I am asking about polycrystalline CNTs and they can not be directly generated in any CNT modelling software. If you have relevant information for generation of polycrystalline CNTs kindly update me.
You can carry out a CGMD simulation by modeling the CNT fibers, discretized by nodes, which interact with each other via a two-body bond potential and a three-body angle potential.
Follow the discussion in this paper:https://www.pnas.org/content/115/9/1986.short
Thank you, everyone for your replies. I have solved the issue by coordinate alterations from cartesian to cylindrical.
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