Razie IzadiMeral TunaPatrizia TrovalusciNicholas FantuzziFantuzzi, NicholasTrovalusci, PatriziaIzadi, RazieTuna, Meral2025-10-0620211537-64941537-653210.1080/15376494.2021.20114992-s2.0-85121685568http://dx.doi.org/10.1080/15376494.2021.2011499https://gcris.yasar.edu.tr/handle/123456789/7697https://doi.org/10.1080/15376494.2021.2011499The 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.Englishinfo:eu-repo/semantics/openAccessMicropolar continua, molecular dynamics simulation, size effect in bending modulus, SWCNTs parameters identification, optimizationMODIFIED COUPLE STRESS, PARTICLE RANDOM COMPOSITES, NONLOCAL SHELL-MODEL, MECHANICAL-PROPERTIES, YOUNGS MODULUS, GRADIENT ELASTICITY, LENGTH SCALE, SINGLE, EQUIVALENT, MICROSTRUCTURESize Effect in Bending ModulusSWCNTs Parameters IdentificationOptimizationMicropolar ContinuaMolecular Dynamics SimulationArticle