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Lattice and continuum based modeling of 2D materials

T. Mukhopadhyay, A. Mahata, Sondipon Adhikari

Synthesis, Modeling, and Characterization of 2D Materials, and Their Heterostructures, Pages: 165 - 177

Swansea University Author: Sondipon Adhikari

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DOI (Published version): 10.1016/b978-0-12-818475-2.00009-x

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 m...

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Published in: Synthesis, Modeling, and Characterization of 2D Materials, and Their Heterostructures
ISBN: 9780128184752
Published: Elsevier 2020
URI: https://cronfa.swan.ac.uk/Record/cronfa54594
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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.
Keywords: Hexagonal nanostructures; Young’s modulus; shear modulus; Poisson’s ratio; analytical closed-form formula; egraphene; MoS2
Start Page: 165
End Page: 177