Deep learning framework for carbon nanotubes: mechanical properties and modeling strategies

Abstract

Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and fracture strain are determined and reported. The results show that the chirality of the nanotube has the greatest influence on the properties. An artificial neural network is developed for the dataset obtained by molecular dynamics and used to predict the mechanical properties. It is clearly shown that Deep Learning provides accurate predictions, with the further advantage that thermal fluctuations are smoothed out. In addition, a through analysis of the effect of dataset size on prediction quality is performed, providing modeling strategies for further researchers.

References in corpus (9)

• Elastic Properties of Carbon Nanotubes and Nanoropes
• Atomistic Simulations of Nanotube Fracture
• Ab-initio structural, elastic, and vibrational properties of carbon nanotubes
• Elastic constants of graphene: Comparison of empirical potentials and DFT calculations
• A deep learning approach for determining the chiral indices of carbon nanotubes from high-resolution transmission electron microscopy images
• Temperature Dependence of the Tensile Properties of Single Walled Carbon Nanotubes: O(N) Tight Binding MD Simulation
• Nonlocal integral thermoelasticity: a thermodynamic framework for functionally graded beams
• On thermomechanics of multilayered beams
• Dynamic behavior of nanobeams under axial loads: Integral elasticity modeling and size-dependent eigenfrequencies assessment

Cited by in corpus (4)

• Carbon Nanotubes as a Basis of Metamaterials and Nanostructures: Crafting via Design Optimization
• A computational framework for nanotrusses: input convex neural networks approach
• Physics-Informed Neural Networks for Nonlocal Beam Eigenvalue Problems
• On Potentials and Complementary Potentials in One-Dimensional Nonlocal Integral Formulations