Comparison of various schemes to determine the Young's modulus of disordered carbon nanomembranes compared to crystalline graphene

TL;DR

This paper compares methods for determining the Young's modulus of disordered carbon nanomembranes, highlighting the importance of simulation adjustments to obtain accurate results and providing detailed guidelines for reliable measurements.

Contribution

It evaluates various schemes for measuring Young's modulus in disordered 2D materials and offers a validated simulation approach with detailed instructions.

Findings

Stress-strain simulations can yield accurate Young's modulus if properly adjusted.

Different measurement schemes can produce varying results for disordered systems.

Proper simulation setup is crucial for trustworthy mechanical property determination.

Abstract

The determination of mechanical properties such as the Young's modulus provides an important means to compare classical molecular dynamics simulations with materials. In this respect, ultra-thin materials hold several challenges: their volume is ambiguous, and different methods to determine a stress-strain relation deliver different result in particular for disordered systems. Using the example of carbon nanomembranes we discuss three common approaches to the problem and show that stress-strain simulations following experimental setups deliver correct results if adjusted carefully. We provide step-by-step instructions how to perform trustworthy simulations.