Atomic-scale finite element method in multiscale computation with applications to carbon nanotubes

2005 ◽  
Vol 72 (3) ◽  
Author(s):  
B. Liu ◽  
H. Jiang ◽  
Y. Huang ◽  
S. Qu ◽  
M.-F. Yu ◽  
...  
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Atomic Scale ◽  
Multiscale Computation ◽  
Element Method

Multiscale Modeling and Mechanical Properties of Zigzag CNT and Triple-Layer Graphene Sheet Based on Atomic Finite Element Method

2015 ◽  
Vol 33 ◽  
pp. 92-105 ◽  
Author(s):  
Jia Fu ◽  
Fabrice Bernard ◽  
Siham Kamali-Bernard
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Graphene Sheet ◽  
Atomic Scale ◽  
Single Layer Graphene ◽  
Element Analysis ◽  
Layer Graphene ◽  
Triple Layer ◽  
Element Method

An Atomic Finite Element Analysis is developed in this paper. At atomic scale, the interatomic bonding forces of Van der Waals and the covalent chemical bond are taken into account. The methodology is applied to study the behavior of carbon nanotubes, whose development has experienced strong growth in recent years and that can be used for quality mechanical reinforcement. These carbon nanotubes are formed by repeating zigzag carbon-carbon bonds. Development of atomic finite element method (AFEM) methodology can be traced back to the homogenized elastic properties of various graphene structures (single-layer graphene sheet, Zig-zag single-walled carbon nanotubes, triple-layer graphene sheet).

Modeling fracture in carbon nanotubes using a meshless atomic-scale finite-element method

JOM ◽  
2008 ◽  
Vol 60 (4) ◽  
pp. 50-55 ◽  
Author(s):  
Xue Feng ◽  
Hanqing Jiang ◽  
Yonggang Huang ◽  
Bin Liu ◽  
Jiun-Shyan Chen
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Atomic Scale ◽  
Modeling Fracture ◽  
Element Method

scholarly journals Molecular Simulations of Cyclic Loading Behavior of Carbon Nanotubes Using the Atomistic Finite Element Method

2009 ◽  
Vol 2009 ◽  
pp. 1-9 ◽  
Author(s):  
Jianfeng Wang ◽  
Marte S. Gutierrez
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Cyclic Loading ◽  
Large Strain ◽  
Fatigue Behavior ◽  
Dominant Role ◽  
Molecular Simulations ◽  
Viscoelastic Behavior ◽  
Element Method

The potential applications of carbon nanotubes (CNT) in many engineered bionanomaterials and electromechanical devices have imposed an urgent need on the understanding of the fatigue behavior and mechanism of CNT under cyclic loading conditions. To date, however, very little work has been done in this field. This paper presents the results of a theoretical study on the behavior of CNT subject to cyclic tensile and compressive loads using quasi-static molecular simulations. The Atomistic Finite Element Method (AFEM) has been applied in the study. It is shown that CNT exhibited extreme cyclic loading resistance with yielding strain and strength becoming constant within limited number of loading cycles. Viscoelastic behavior including nonlinear elasticity, hysteresis, preconditioning (stress softening), and large strain have been observed. Chiral symmetry was found to have appreciable effects on the cyclic loading behavior of CNT. Mechanisms of the observed behavior have been revealed by close examination of the intrinsic geometric and mechanical features of tube structure. It was shown that the accumulated residual defect-free morphological deformation was the primary mechanism responsible for the cyclic failure of CNT, while the bond rotating and stretching experienced during loading/unloading played a dominant role on the strength, strain and modulus behavior of CNT.

Three-phase micromechanical analysis of residual stresses in reinforced fiber by carbon nanotubes

2016 ◽  
Vol 51 (12) ◽  
pp. 1783-1794 ◽  
Author(s):  
Ahmad Reza Ghasemi ◽  
Mohammad Mohammadi Fesharaki ◽  
Masood Mohandes
Keyword(s):  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Carbon Fiber ◽  
Residual Stresses ◽  
Representative Volume Element ◽  
Volume Element ◽  
The Finite Element Method ◽  
Representative Volume ◽  
Element Method

In this study, circular disk model and cylinder theory for two dimension (2D) and three dimension (3D), respectively, have been used to determine residual stresses in three-phase representative volume element. The representative volume element is consisting of three phases: carbon fiber, carbon nanotubes, and polymer matrix, that carbon fiber is reinforced by carbon nanotube using electrophoresis method. Initially, the residual stresses analysis of two-phase representative volume element has been implemented. The two-phase representative volume element has been divided to carbon fiber and matrix phases with different volume fractions. In the three-phase representative volume element, although the volume fraction of carbon fiber is constant and equal to 60%, the volume fractions of carbon nanotubes for various cases are different as 0%, 1%, 2%, 3%, 4%, and 5%. Also, there are two different methods to reinforce the fiber according to different coefficients of thermal expansion of the carbon fiber and carbon nanotube in two longitudinal and transverse directions; carbon nanotubes are placed on carbon fiber either parallel or around it like a ring. Subsequently, finite element method and circular disk model have been used for analyzing micromechanic of the residual stresses for 2D and then the results of stress invariant obtained by the finite element method have been compared with the circular disk model. Moreover, for 3D model, the finite element method and cylinder theory have been utilized for micromechanical analysis of the residual stresses and the results of stress invariant obtained by them, have been compared with each other. Results of the finite element method and analytical model have good agreement in 2D and 3D models.

Numerical Charaterization of the Shear Behavior of Hetero-Junction Carbon Nanotubes

2013 ◽  
Vol 26 ◽  
pp. 143-151 ◽  
Author(s):  
Sadegh Imani Yengejeh ◽  
Mojtaba Akbarzade ◽  
Andreas Öchsner
Keyword(s):  
Numerical Simulation ◽  
Finite Element Method ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Boundary Conditions ◽  
Shear Behavior ◽  
The Finite Element Method ◽  
Twisting Angle ◽  
Element Method

In this study, numerous types of straight hetero-junction carbon nanotubes (CNTs) and their fundamental CNTs were investigated by the finite element method (FEM). By applying the FEM, the shear behavior of these hetero-junctions was obtained thorough numerical simulation. The behavior of hetero-junctions and their constituent CNTs were investigated. The investigations revealed that the twisting angle of straight hetero-junction CNTs lies within the range of twisting angle of their fundamental CNTs. In addition, change of boundary conditions did not significantly change the value of obtained twisting angle of hetero-junctions. It was also concluded that the shear behavior of straight hetero-junctions and their constituent CNTs increases by increasing the chiral number of both armchair and zigzag CNTs. The current study provides a better insight towards the prediction of straight hetero-junction CNTs behavior.

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