Bending characteristics of carbon nanotubes: Micropolar elasticity models and molecular dynamics simulations. Issue 1 (1st December 2021)

• Record Type: Journal Article
• Authors: Izadi, Razie; Tuna, Meral; Trovalusci, Patrizia; Fantuzzi, Nicholas
• Is Part Of: Mechanics of advanced materials and structures. Volume 30:Issue 1(2023)
• Page Start: 189
• Page End: 206
• Publication Date: 2021-12-01
• Subjects: Micropolar continua -- molecular dynamics simulation -- size effect in bending modulus -- SWCNTs parameters identification -- optimization; Composite materials -- Mechanical properties -- Periodicals; Composite construction -- Periodicals; 620.118
• DOI: 10.1080/15376494.2021.2011499
• Languages: English
• ISSNs: 1537-6494

Abstract

Abstract: The present paper aims at evaluating non-classical continuum parameters for each class of armchair and zigzag single-walled CNTs focusing on the scale effect in their flexural behavior observed in molecular dynamics (MD) simulations. Through a non-linear optimization approach, the bending rigidities obtained from atomistic simulations are compared to those derived from non-classical continua. For MD simulations, a novel method ensuring pure bending is introduced and for continuum modeling, micropolar, constrained micropolar, and modified couple stress theories are employed. The results reveal that adopted non-classical theories, notably micropolar theory, provide reasonable outcomes with an obvious failure of classical Cauchy theory.