Comparison of various schemes to determine the Young's modulus of disordered carbon nanomembranes compared to crystalline graphene
arXiv:2410.01461 · doi:10.1016/j.physe.2024.116170
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.
22 pages, 8 figures