Mechanical properties of 2D materials: A review on molecular dynamics based nanoindentation simulations

L Patra and R Pandey, MATERIALS TODAY COMMUNICATIONS, 31, 103623 (2022).

DOI: 10.1016/j.mtcomm.2022.103623

The study of the mechanical properties of two-dimensional (2D) materials is one of the most pursued areas of materials research. Nanoindentation, an experimental technique, is commonly used to determine the mechanical strength of materials, ranging from 2D materials to bulk. It can also be simulated using the molecular dynamics method, thereby providing atomic- level insights into the material's mechanical response. In this paper, we review the results obtained for 2D materials, including atomically thin monolayers to a few nanometer-thick thin films in the scientific literature. We find that an accurate description of chemical bonding is essential in these materials to gain an insight into their in-plane (or out-of-plane) mechanical response, which can be exploited in next- generation nanoscale devices.

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