Torsional Characteristics of Carbon Nanotubes: Micropolar Elasticity Models and Molecular Dynamics Simulation
| Autor: | Meral Tuna, Esmaeal Ghavanloo, Razie Izadi, Patrizia Trovalusci |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
General Chemical Engineering SWCNTs parameters identification 02 engineering and technology Carbon nanotube Molecular dynamics Micropolar continua Molecular Dynamics Optimisation Article law.invention lcsh:Chemistry Shear modulus 0203 mechanical engineering law General Materials Science Continuum hypothesis Stress–strain curve Mechanics Elasticity (physics) 021001 nanoscience & nanotechnology Constraint (information theory) 020303 mechanical engineering & transports lcsh:QD1-999 Zigzag 0210 nano-technology |
| Zdroj: | Nanomaterials Volume 11 Issue 2 Nanomaterials, Vol 11, Iss 453, p 453 (2021) |
| ISSN: | 2079-4991 |
| Popis: | Efficient application of carbon nanotubes (CNTs) in nano-devices and nano-materials requires comprehensive understanding of their mechanical properties. As observations suggest size dependent behaviour, non-classical theories preserving the memory of body’s internal structure via additional material parameters offer great potential when a continuum modelling is to be preferred. In the present study, micropolar theory of elasticity is adopted due to its peculiar character allowing for incorporation of scale effects through additional kinematic descriptors and work-conjugated stress measures. An optimisation approach is presented to provide unified material parameters for two specific class of single-walled carbon nanotubes (e.g. armchair and zigzag) by minimizing the difference between the apparent shear modulus obtained from molecular dynamics (MD) simulation and micropolar beam model considering both solid and tubular cross-sections. The results clearly reveal that micropolar theory is more suitable compared to internally constraint couple stress theory, due to the essentiality of having skew-symmetric stress and strain measures, as well as to the classical local theory (Cauchy of Grade 1), which cannot accounts for scale effects. To the best of authors’ knowledge, this is the first time that unified material parameters of CNTs are derived through a combined MD-micropolar continuum theory. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|