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arXiv · 2410.01461

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

L. Mihlan·J. Ehrens·J. Schnack
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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.

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L. Mihlan, J. Ehrens, J. Schnack. 2024-10-02. Comparison of various schemes to determine the Young's modulus of disordered carbon nanomembranes compared to crystalline graphene. https://doi.org/10.1016/j.physe.2024.116170

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