Molecular Dynamics Simulation for Buckling Analysis at Nanocomposite Beams
In the present study we have investigated axial
buckling characteristics of nanocomposite beams reinforced by
single-walled carbon nanotubes (SWCNTs). Various types of beam
theories including Euler-Bernoulli beam theory, Timoshenko beam
theory and Reddy beam theory were used to analyze the buckling
behavior of carbon nanotube-reinforced composite beams.
Generalized differential quadrature (GDQ) method was utilized to
discretize the governing differential equations along with four
commonly used boundary conditions. The material properties of the
nanocomposite beams were obtained using molecular dynamic (MD)
simulation corresponding to both short-(10,10) SWCNT and long-
(10,10) SWCNT composites which were embedded by amorphous
polyethylene matrix. Then the results obtained directly from MD
simulations were matched with those calculated by the mixture rule
to extract appropriate values of carbon nanotube efficiency
parameters accounting for the scale-dependent material properties.
The selected numerical results were presented to indicate the
influences of nanotube volume fractions and end supports on the
critical axial buckling loads of nanocomposite beams relevant to
long- and short-nanotube composites.
[1] S. Iijima, 1991, Helical Microtubes of Graphite Carbon, Nature 354, pp.
56-58.
[2] K. Liao and S. Li, 2001, Interfacial Characteristics of a Carbon
Nanotube-Polystyrene Composite System, Applied Physics Letters 79,
pp. 4225-4227.
[3] C. Wei, K. Cho, and D. Srivastava, 2001, Chemical Bonding of Polymer
on Carbon Nanotube, MRS 2001 Meeting proceeding.
[4] K. Lau, 2003, Interfacial Bonding Characteristics of Nanotube/Polymer
Composites, Chemical Physics Letters 370, pp. 399-405.
[5] E. Hammel, X. Tang, M. Trampert, T. Schmitt, K. Mauthner, and A.
Eder, 2004, Carbon Nanofibers for Composite Applications, Carbon 42,
pp. 1153-1158.
[6] Y. Han and J. Elliott, 2007, Molecular Dynamics Simulations of the
Elastic Properties of Polymer/Carbon Nanotube Composites,
Computational Materials Science 39, pp. 315-323.
[7] A. Labuschange, N.F.J. Van Rensburg, and A.J. Van der Merwe, 2009,
Comparison of Linear Beam Theories, Mathematical and Computer
Modelling 49, pp. 20-30.
[8] H.S. Shen, 2009, Nonlinear Bending of Functionally Graded Carbon
Nanotube-Reinforced Composite Plates in Thermal Environments,
Composite Structures 91, pp. 9-19.
[9] H. Haftchenari, M. Darvizeh, A. Darvizeh, R. Ansari, and C.B. Sharma,
2007, Dynamic Analysis of Composite Cylindrical Shells using
Differential Quadrature Method (DQM), Composite Structures 78(2),
pp. 292-298.
[10] P. Malekzadeh and A.R. Fiouz, 2007, Large Deformation Analysis of
Orthotropic Skew Plates with Nonlinear Rotationally Restrained Edges
using DQM, Composite Structures 80(2), pp. 196-206.
[11] M.A. De Rosa, N.M. Auciello, and M. Lippiello, 2008, Dynamic
Stability Analysis and DQM for Beams with Variable Cross-Section,
Mechanics Research Communications 35(3), pp. 187-192.
[12] Y.J. Hu, Y.Y. Zhu, and C.J. Cheng, 2009, DQM for Dynamic Response
of Fluid-Saturated Visco-Elastic Porous Media, International Journal of
Solids and Structures 46(7-8), pp. 1667-1675.
[13] O. Sepahi, M.R. Forouzan, and P. Malekzadeh, 2010, Large Deflection
Analysis of Thermo-Mechanical Loaded Annular FGM Plates on
Nonlinear Elastic Foundation via DQM, Composite Structures 92(10),
pp. 2369-2378.
[14] S.C. Pradhan and T. Murmu, 2010, Application of Nonlocal Elasticity
and DQM in the Flapwise Bending Vibration of a Rotating
Nanocantilever, Physica E 42(7), pp. 1944-1949.
[15] I. Hanasaki, A. Nakatani, and H. Kitagawa, 2004, Molecular Dynamics
Study of Ar Flow and He Flow Inside Carbon Nanotube Junction as a
Molecular Nozzle and Diffuser, Science and Technology of Advanced
Materials 5, pp. 107-113.
[16] K. Bi, Y. Chen, J. Yang, Y. Wang, and M. Chen, 2006, Molecular
Dynamics Simulation of Thermal Conductivity of Single-Wall Carbon
Nanotubes, Physics Letters A 350, pp. 150-153.
[17] Nanorex Inc., 2005, NanoHive-1 v.1.2.0-b1, www.nanoengineer-1.com
[18] S.J. Stuart, A.B. Tutein, and J.A. Harrison, 2000, A Reactive Potential
for Hydrocarbons with Intermolecular Interactions, Journal of Chemical
Physics 112, pp. 6472-6486
[19] C.F. Cornwell and L.T. Wille, 1997, Elastic Properties of Single-Walled
Carbon Nanotubes in Comparison, Solid State Communications 101, pp.
555-558.
[20] V.N. Popov, V.E. Van Doren, and M. Balkanski, 2000, Elastic
Properties of Crystals of Single-Walled Carbon Nanotube, Solid State
Communications 114, pp. 395-399.
[1] S. Iijima, 1991, Helical Microtubes of Graphite Carbon, Nature 354, pp.
56-58.
[2] K. Liao and S. Li, 2001, Interfacial Characteristics of a Carbon
Nanotube-Polystyrene Composite System, Applied Physics Letters 79,
pp. 4225-4227.
[3] C. Wei, K. Cho, and D. Srivastava, 2001, Chemical Bonding of Polymer
on Carbon Nanotube, MRS 2001 Meeting proceeding.
[4] K. Lau, 2003, Interfacial Bonding Characteristics of Nanotube/Polymer
Composites, Chemical Physics Letters 370, pp. 399-405.
[5] E. Hammel, X. Tang, M. Trampert, T. Schmitt, K. Mauthner, and A.
Eder, 2004, Carbon Nanofibers for Composite Applications, Carbon 42,
pp. 1153-1158.
[6] Y. Han and J. Elliott, 2007, Molecular Dynamics Simulations of the
Elastic Properties of Polymer/Carbon Nanotube Composites,
Computational Materials Science 39, pp. 315-323.
[7] A. Labuschange, N.F.J. Van Rensburg, and A.J. Van der Merwe, 2009,
Comparison of Linear Beam Theories, Mathematical and Computer
Modelling 49, pp. 20-30.
[8] H.S. Shen, 2009, Nonlinear Bending of Functionally Graded Carbon
Nanotube-Reinforced Composite Plates in Thermal Environments,
Composite Structures 91, pp. 9-19.
[9] H. Haftchenari, M. Darvizeh, A. Darvizeh, R. Ansari, and C.B. Sharma,
2007, Dynamic Analysis of Composite Cylindrical Shells using
Differential Quadrature Method (DQM), Composite Structures 78(2),
pp. 292-298.
[10] P. Malekzadeh and A.R. Fiouz, 2007, Large Deformation Analysis of
Orthotropic Skew Plates with Nonlinear Rotationally Restrained Edges
using DQM, Composite Structures 80(2), pp. 196-206.
[11] M.A. De Rosa, N.M. Auciello, and M. Lippiello, 2008, Dynamic
Stability Analysis and DQM for Beams with Variable Cross-Section,
Mechanics Research Communications 35(3), pp. 187-192.
[12] Y.J. Hu, Y.Y. Zhu, and C.J. Cheng, 2009, DQM for Dynamic Response
of Fluid-Saturated Visco-Elastic Porous Media, International Journal of
Solids and Structures 46(7-8), pp. 1667-1675.
[13] O. Sepahi, M.R. Forouzan, and P. Malekzadeh, 2010, Large Deflection
Analysis of Thermo-Mechanical Loaded Annular FGM Plates on
Nonlinear Elastic Foundation via DQM, Composite Structures 92(10),
pp. 2369-2378.
[14] S.C. Pradhan and T. Murmu, 2010, Application of Nonlocal Elasticity
and DQM in the Flapwise Bending Vibration of a Rotating
Nanocantilever, Physica E 42(7), pp. 1944-1949.
[15] I. Hanasaki, A. Nakatani, and H. Kitagawa, 2004, Molecular Dynamics
Study of Ar Flow and He Flow Inside Carbon Nanotube Junction as a
Molecular Nozzle and Diffuser, Science and Technology of Advanced
Materials 5, pp. 107-113.
[16] K. Bi, Y. Chen, J. Yang, Y. Wang, and M. Chen, 2006, Molecular
Dynamics Simulation of Thermal Conductivity of Single-Wall Carbon
Nanotubes, Physics Letters A 350, pp. 150-153.
[17] Nanorex Inc., 2005, NanoHive-1 v.1.2.0-b1, www.nanoengineer-1.com
[18] S.J. Stuart, A.B. Tutein, and J.A. Harrison, 2000, A Reactive Potential
for Hydrocarbons with Intermolecular Interactions, Journal of Chemical
Physics 112, pp. 6472-6486
[19] C.F. Cornwell and L.T. Wille, 1997, Elastic Properties of Single-Walled
Carbon Nanotubes in Comparison, Solid State Communications 101, pp.
555-558.
[20] V.N. Popov, V.E. Van Doren, and M. Balkanski, 2000, Elastic
Properties of Crystals of Single-Walled Carbon Nanotube, Solid State
Communications 114, pp. 395-399.
@article{"International Journal of Mechanical, Industrial and Aerospace Sciences:71123", author = "Babak Safaei and A. M. Fattahi", title = "Molecular Dynamics Simulation for Buckling Analysis at Nanocomposite Beams", abstract = "In the present study we have investigated axial
buckling characteristics of nanocomposite beams reinforced by
single-walled carbon nanotubes (SWCNTs). Various types of beam
theories including Euler-Bernoulli beam theory, Timoshenko beam
theory and Reddy beam theory were used to analyze the buckling
behavior of carbon nanotube-reinforced composite beams.
Generalized differential quadrature (GDQ) method was utilized to
discretize the governing differential equations along with four
commonly used boundary conditions. The material properties of the
nanocomposite beams were obtained using molecular dynamic (MD)
simulation corresponding to both short-(10,10) SWCNT and long-
(10,10) SWCNT composites which were embedded by amorphous
polyethylene matrix. Then the results obtained directly from MD
simulations were matched with those calculated by the mixture rule
to extract appropriate values of carbon nanotube efficiency
parameters accounting for the scale-dependent material properties.
The selected numerical results were presented to indicate the
influences of nanotube volume fractions and end supports on the
critical axial buckling loads of nanocomposite beams relevant to
long- and short-nanotube composites.", keywords = "Nanocomposites, molecular dynamics simulation,
axial buckling, generalized differential quadrature (GDQ).", volume = "9", number = "10", pages = "1781-5", }
