Journal
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
Volume 8, Issue 3, Pages -Publisher
WILEY
DOI: 10.1002/wcms.1346
Keywords
-
Funding
- DST, New Delhi, India [DST-952-MID]
Ask authors/readers for more resources
Due to their exceptional properties, graphene and hexagonal boron nitride (h-BN) nanofillers are emerging as potential candidates for reinforcing the polymer-based nanocomposites. Graphene and h-BN have comparable mechanical and thermal properties, whereas due to high band gap in h-BN (similar to 5eV), have contrasting electrical conductivities. Atomistic modeling techniques are viable alternatives to the costly and time-consuming experimental techniques, and are accurate enough to predict the mechanical properties, fracture toughness, and thermal conductivities of graphene and h-BN-based nanocomposites. Success of any atomistic model entirely depends on the type of interatomic potential used in simulations. This review article encompasses different types of interatomic potentials that can be used for the modeling of graphene, h-BN, and corresponding nanocomposites, and further elaborates on developments and challenges associated with the classical mechanics-based approach along with synergic effects of these nano reinforcements on host polymer matrix. (C) 2017 Wiley Periodicals, Inc.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available