Lattice and continuum based modeling of 2D materials

Mukhopadhyay, T., Mahata, A. and Adhikari, S. (2020) Lattice and continuum based modeling of 2D materials. In, Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures. Elsevier, pp. 165-177. (doi:10.1016/B978-0-12-818475-2.00009-X).

Record type: Book Section

Abstract

Hexagonal lattice-like structural forms are present in the nanostructures of several two-dimensional materials. The effective mechanical properties of these materials can be expressed on the basis of an equivalent continuum-based assumption. We focus on nanoscale analysis of the structures of such materials in this chapter based on a generalized analytical approach leading to closed-form formulae for the elastic moduli. Two different classes of single-layer materials (monoplanar and multiplanar) from a structural point of view are considered to demonstrate the results using these analytical formulae. The physics-based high-fidelity analytical models presented in this chapter are capable of obtaining the elastic properties in a computationally efficient manner for wide range of materials with hexagonal nanostructures.

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