Razie Razieh IzadiMeral TunaPatrizia TrovalusciNicholas Fantuzzi2025-10-06202115376532, 153764941537-64941537-653210.1080/15376494.2021.2011499https://www.scopus.com/inward/record.uri?eid=2-s2.0-85121685568&doi=10.1080%2F15376494.2021.2011499&partnerID=40&md5=003713d29d57f0548d15b328d360e739https://gcris.yasar.edu.tr/handle/123456789/9054The 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. © 2023 Elsevier B.V. All rights reserved.EnglishMicropolar Continua, Molecular Dynamics Simulation, Optimization, Size Effect In Bending Modulus, Swcnts Parameters Identification, Carbon Nanotubes, Continuum Mechanics, Nonlinear Programming, Bending Moduli, Dynamics Simulation, Micropolar, Micropolar Continuum, Molecular Dynamic Simulation, Optimisations, Parameters Identification, Size Effect In Bending Modulus, Sizes Effect, Swcnt Parameter Identification, Molecular DynamicsCarbon nanotubes, Continuum mechanics, Nonlinear programming, Bending moduli, Dynamics simulation, Micropolar, Micropolar continuum, Molecular dynamic simulation, Optimisations, Parameters identification, Size effect in bending modulus, Sizes effect, SWCNT parameter identification, Molecular dynamicsArticle