Publicou 6 edições por ano
ISSN Imprimir: 1543-1649
ISSN On-line: 1940-4352
Indexed in
DERIVATION OF THE YOUNG'S AND SHEAR MODULI OFSINGLE-WALLED CARBON NANOTUBES THROUGH A COMPUTATIONAL HOMOGENIZATION APPROACH
RESUMO
In this study, the computation of the traction-torsion-bending behavior of single-walled carbon nanotubes (SWCNTs) is investigated. A structural mechanics model is used to describe the response of the nanotube; the atomic interactions are represented with 3D beams. Nanotubes are slender structures, taking benefit from their axial periodicity or helical symmetry. Homogenization theory is used to obtain their overall beam behavior from the solution of basic cell problems. These problems are solved through a finite element approach and involve concise models, whatever the SWCNT type. The computed results show that the bending behavior appears to be decoupled from the axial one and independent of the moment direction. Young's and shear moduli are derived, and it is shown that the Young's moduli are very close in traction and bending. Comparisons with the data in the literature reveal good agreements. Finally, scale effects are studied, and the moduli of the SWCNTs are compared to those of the graphene, thus demonstrating mechanical sensitivity to curvature.
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Agrawal, P. M., Sudalayandi, B. S., Raff, L. M., and Komanduri, R., A comparison of different methods of Young’s modulus determination for single-wall carbon nanotubes (SWCNT) using molecular dynamics (MD) simulations.
-
Barros, E., Jorio, A., Samsonidze, G., Capaz, R., Souza Filho, A., Filho, J. M., Dresselhauss, G., and Dresselhauss, M. S., Review on the symmetry-related properties of carbon nanotubes. DOI: 10.1016/j.physrep.2006.05.007
-
Bendsoe, M. P., Optimal shape design as a material distribution problem. DOI: 10.1007/BF01650949
-
Boutin, C. and Hans, S., Homogenization of periodic discrete medium: Application to dynamics of framed structures. DOI: 10.1016/S0266-352X(03)00005-3
-
Boutin, C. and Hans, S., Dynamics of discrete framed structures: A unified homogenized description.
-
Buannic, N. and Cartraud, P., Higher-order effective modelling of periodic heterogeneous beams – Part I: Asymptotic expansion method. DOI: 10.1016/S0020-7683(00)00422-4
-
Caillerie, D., Mourad, A., and Raoult, A., Discrete homogenization in graphene sheet modeling. DOI: 10.1007/s10659-006-9053-5
-
Cartraud, P. and Messager, T., Computational homogenization of periodic beam-like structures. DOI: 10.1016/j.ijsolstr.2005.03.063
-
Chang, T. and Gao, H., Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model. DOI: 10.1016/S0022-5096(03)00006-1
-
Chang, T., Geng, J., and Guo, X., Chirality- and size-dependent elastic properties of single-walled carbon nanotubes. DOI: 10.1063/1.2149216
-
Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, I. R., Merz, K. M., and Ferguson, D. M., A second generation force-field for the simulation of proteins, nucleic acids and organic molecules. DOI: 10.1021/ja00124a002
-
Dallot, J., Sab, K., and Foret, G., Limit analysis of periodic beams. DOI: 10.1016/j.euromechsol.2008.04.001
-
Dresselhaus, M. S., Dresselhaus, G., and Avouris, P., Carbon nanotubes (synthesis, structure properties and applications).
-
Dumitrica, T. and James, R. D., Objective molecular dynamics. DOI: 10.1016/j.jmps.2007.03.001
-
Geers, M. G. D., Coenen, E. W. C., and Kouznetsova, V. G., Multi-scale computational homogenization of structured thin sheets. DOI: 10.1088/0965-0393/15/4/S06
-
Giannopoulos, G. I., Kakavas, P. A., and Anifantis, N. K., Evaluation of the effective mechanical properties of single walled carbon nanotubes using a spring based finite element approach. DOI: 10.1016/j.commatsci.2007.05.016
-
Gupta, S., Dharamvir, K., and Jindal, V. K., Elastic moduli of single-walled carbon nanotubes and their ropes. DOI: 10.1103/PhysRevB.72.165428
-
Gupta, S. S. and Batra, R. C., Continuum structures equivalent in normal mode vibrations to single-walled carbon nanotubes.
-
Hernandez, E., Goze, C., Bernier, P., and Rubio, A., Elastic properties of C and B<sub>x</sub>C<sub>y</sub>N<sub>z</sub> composite nanotubes. DOI: 10.1103/PhysRevLett.80.4502
-
Huang, Y.,Wu, J., and Hwang, K. C., Thickness of graphene and single-wall carbon nanotubes. DOI: 10.1103/PhysRevB.74.245413
-
Kalamkarov, A. L., Georgiades, A. V., Rokkam, S. K., Veedu, V. P., and Ghasemi-Nejhad, M. N., Analytical and numerical techniques to predict carbon nanotubes properties. DOI: 10.1016/j.ijsolstr.2006.02.009
-
Kasti, N., Zigzag carbon nanotubes—Molecular/structural mechanics and the finite element method. DOI: 10.1016/j.ijsolstr.2007.03.017
-
Krishnan, A., Dujardin, E., Ebbessen, T. W., and Yianilos et Treacy, M., Young’s modulus of single-walled nanotubes. DOI: 10.1103/PhysRevB.58.14013
-
Léné, F., Contribution à l’étude des Matériaux Composites et de Leur Endommagement.
-
Li, C. and Chou, T. W., A structural mechanics approach for the analysis of carbon nanotubes. DOI: 10.1016/S0020-7683(03)00056-8
-
Liu, W. K., Karpov, E. G., and Park, H. S., Nano Mechanics and Materials; Theory Multiscale Methods and Applications.
-
Lu, J. P., Elastic properties of carbon nanotubes and nanoropes. DOI: 10.1103/PhysRevLett.79.1297
-
Meo, M. and Rossi, M., Prediction of Young’s modulus of single wall carbon nanotubes by molecular-mechanics based finite element modelling. DOI: 10.1016/j.compscitech.2005.11.015
-
Messager, T. and Cartraud, P., Homogenization of helical beam-like structures: Application to single-walled carbon nanotubes. DOI: 10.1007/s00466-007-0189-3
-
Mintmire, J. W. and White, C. T., Electronic and structural properties of carbon nanotubes.
-
Moustaghfir, N., Daya, E. M., Braikat, B., Damil, N., and Potier-Ferry, M., Evaluation of continuous modelings for the modulated vibration modes of long repetitive structures. DOI: 10.1016/j.ijsolstr.2007.03.023
-
Natsuki, T., Tantrakarn, K., and Endo, M., Effect of carbon nanotube structures on mechanical properties. DOI: 10.1007/s00339-003-2492-y
-
Odegard, G. M., Gates, T. S., Nicholson, L. M., and Wise, K. E., Equivalent-continuum modeling of nano-structured materials. DOI: 10.1016/S0266-3538(02)00113-6
-
Pantano, A., Parks, D. M., and Boyce, M. C., Mechanics of deformation of single- and multi-wall carbon nanotubes. DOI: 10.1016/j.jmps.2003.08.004
-
Qian, D., Wagner, G. J., Liu, W. K., Yu, M. F., and Ruoff, R. S., Mechanics of carbon nanotubes. DOI: 10.1115/1.1490129
-
Rafii-Tabar, H., Computational modelling of thermo-mechanical and transport properties of carbon nanotubes. DOI: 10.1016/j.physrep.2003.10.012
-
Rappe, A. K., Casemit, C. J., Colwell, K. S., Goddard,W. A., and Skiff,W. M., UFF, A full periodic-table force field for molecular mechanics and molecular dynamics simulations. DOI: 10.1021/ja00051a040
-
Reddy, C. D., Rajendran, S., and Liew, K. M., Equilibrium configuration and continuum elastic properties of finite sized graphene. DOI: 10.1088/0957-4484/17/3/042
-
Salvetat, J. P., Briggs, A. D., Bonard, J. M., Basca, R. R., Kulik, A. J., Stockli, T., Burnham, N. A., and Forro, L., Elastic and shear moduli of single-walled carbon nanotube ropes. DOI: 10.1103/PhysRevLett.82.944
-
Srivastava, D., Wei, C., and Cho, K., Computational nanomechanics of carbon nanotubes and composites. DOI: 10.1115/1.1538625
-
To, W. S., Bending and shear moduli of single-walled carbon nanotubes. DOI: 10.1016/j.finel.2005.08.004
-
Trabucho, L. and Viano, J. M., Mathematical Modelling of Rods.
-
Tserpes, K. I. and Papanikos, P., Finite element modelling of single-walled carbon nanotubes. DOI: 10.1016/j.compositesb.2004.10.003
-
Tu, Z. C. and Ou-Yang, Z. C., Elastic theory of low-dimensional continua and its applications in bio- and nano-structures. DOI: 10.1166/jctn.2008.002
-
Van Lier, G., Van Alsenoy, C., Van Doren, V., and Geerlings, P., Ab initio study of the elastic properties of single-walled carbon nanotubes and grapheme. DOI: 10.1016/S0009-2614(00)00764-8
-
Wang, Q. and Varadan, V. K., Wave characteristics of carbon nanotubes. DOI: 10.1016/j.ijsolstr.2005.02.047
-
Wenxing, B., Changchun, Z., and Wanzhao, C., Simulation of Young’s modulus of single-walled carbon nanotubes by molecular dynamics. DOI: 10.1016/j.physb.2004.07.005
-
Wu, Y., Zhang, X., Leung, A. Y. T., and Zhong, W., An energy-equivalent model on studying the mechanical properties of singlewalled carbon nanotubes. DOI: 10.1016/j.tws.2006.05.003
-
Xiao, J. R., Lopatnikov, S. L., Gama, B. A., and Gillespie, J. W., Nanomechanics of the deformation of single- and multi-walled carbon nanotubes under radial pressure. DOI: 10.1016/j.msea.2005.09.105
-
Zhang, D.-B. and Dumitrica, T., Elasticity of ideal single-walled carbon nanotubes via symmetry-adapted tight-binding objective modeling. DOI: 10.1063/1.2965465
-
Kamiński Marcin, Design sensitivity analysis for the homogenized elasticity tensor of a polymer filled with rubber particles, International Journal of Solids and Structures, 51, 3-4, 2014. Crossref
-
Kamiński Marcin, Homogenization with uncertainty in Poisson ratio for polymers with rubber particles, Composites Part B: Engineering, 69, 2015. Crossref
-
Kamiński Marcin, Deterministic and probabilistic homogenization limits for particulate composites with nearly incompressible components, Composite Structures, 187, 2018. Crossref
-
Penta Francesco, Monaco Michelina, Pucillo Giovanni Pio, Gesualdo Antonio, Periodic beam-like structures homogenization by transfer matrix eigen-analysis: A direct approach, Mechanics Research Communications, 85, 2017. Crossref
-
Gesualdo Antonio, Iannuzzo Antonio, Pucillo Giovanni Pio, Penta Francesco, A direct technique for the homogenization of periodic beam-like structures by transfer matrix eigen-analysis, Latin American Journal of Solids and Structures, 15, 5, 2018. Crossref
-
Penta Francesco, Esposito Luca, Pucillo Giovanni Pio, Rosiello Vincenzo, Gesualdo Antonio, On the homogenization of periodic beam-like structures, Procedia Structural Integrity, 8, 2018. Crossref
-
Cristancho Dahiyana, Benitez Laura, Seminario Jorge M., Coupling of mechanical and electronic properties of carbon nanotubes, Journal of Molecular Modeling, 19, 12, 2013. Crossref
-
Hosseini Seyyed Amirhosein, Khosravi Farshad, Ghadiri Majid, Effect of External Moving Torque on Dynamic Stability of Carbon Nanotube, Journal of Nano Research, 61, 2020. Crossref
-
Khosravi Farshad, Hosseini Seyyed Amirhosein, Hamidi Babak Alizadeh, Dimitri Rossana, Tornabene Francesco, Nonlocal Torsional Vibration of Elliptical Nanorods with Different Boundary Conditions, Vibration, 3, 3, 2020. Crossref
-
Khosravi Farshad, Hosseini Seyyed Amirhosein, On the viscoelastic carbon nanotube mass nanosensor using torsional forced vibration and Eringen’s nonlocal model, Mechanics Based Design of Structures and Machines, 50, 3, 2022. Crossref
-
Wang J. F., Shi S. Q., Liu Y. Z., Yang J. P., Tam Lik-ho, Multiscale simulation of temperature- and pressure-dependent nonlinear dynamics of PMMA/CNT composite plates, Nonlinear Dynamics, 109, 3, 2022. Crossref