Browsing by Author "Tzeng, Shi-Hua"

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Characterizing elastic properties of carbon nanotubes/polyimide nanocomposites using multi-scale simulation
(2010-01-01)
Tsai, Jia-Lin
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Tzeng, Shi-Hua
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Chiu, Yu-Tsung
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機械工程學系
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Department of Mechanical Engineering
This research is aimed at characterizing the elastic properties of carbon nanotubes (CNTs) reinforced polyimide nanocomposites using a multi-scale simulation approach. The hollow cylindrical molecular structures of CNTs were modeled as a transverse isotropic solid, the equivalent elastic properties of which were determined from the molecular mechanics calculations in conjunction with the energy equivalent concept. Subsequently, the molecular structures of the CNTs/polyimide nanocomposites were established through h molecular dynamics (MD) simulation, from which the non-bonded gap as well as the non-bonded energy between the CNTs and the Surrounding polyimide were evaluated It was postulated that the normalized non-bonded energy (non-bonded energy divided by surface area of the CNTs) is correlated with the extent of the interfacial interaction. Afterwards. an effective interphase was introduced between the CNTs and polyimide polymer to characterize the degree of non-bonded interaction. The dimension of the interphase was assumed equal to the non-bonded gap, and the corresponding elastic stiffness was calculated from the normalized non-bonded energy. The elastic properties of the CNT nanocomposites were predicted by a three-phase micromechanical model in which the equivalent solid cylinder of CNTs, polyimide matrix. and the effective interphase were included. Results indicated that the longitudinal moduli of the nanocomposites obtained based on the three-phase model were in good agreement with those calculated from MD simulation. Moreover, they fit well with the conventional rule of mixture predictions. On the other hand, in the transverse direction, the three-phase model is superior to the conventional micromechanical model since it is capable of predicting the dependence of transverse modulus on the radii of nanotubes. (C) 2009 Elsevier Ltd. All rights reserved.
Characterizing mechanical properties of particulate nanocomposites using micromechanical approach
(2008-11-01)
Tsai, Jia-Lin
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Tzeng, Shi-Hua
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機械工程學系
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Department of Mechanical Engineering
This research aims to propose a continuous micromechanical model for characterizing the mechanical properties of the nanocomposites containing silica nanoparticles embedded in polyimide matrix. The molecular structures of the nanocomposites were established through molecular dynamic ( MD) simulation, from which the non-bonded gap as well as the non-bonded energy between the nano-sized inclusion and the surrounding matrix were evaluated. It was postulated that the normalized non-bonded energy (non-bonded energy divided by surface area of the inclusion) is correlated with the degree of interfacial interaction. Subsequently, an effective interphase micromechanical model including inclusion, matrix and effective interphase was developed, in which the dimension of the effective interphase was assumed equal to the non-bonded gap and the corresponding elastic stiffness was calculated from the normalized non-bonded energy. Comparison of the results calculated from the micromechanical model and the MD simulation indicates that the effective interphase model is capable of describing Young's modulus of particulate nanocomposites with accuracy. In addition, it was revealed that when the particulate size decreases, the corresponding modulus of the nanocomposites increases.
Characterizing the fracture parameters of a graphene sheet using atomistic simulation and continuum mechanics
(2010-02-01)
Tsai, Jia-Lin
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Tzeng, Shi-Hua
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Tzou, Yu-Jen
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機械工程學系
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Department of Mechanical Engineering
The fracture behavior of a graphene sheet, containing a center crack (length of 2a) was characterized based on the atomistic simulation and the concept of continuum mechanics. Two failure modes, i.e., opening mode (Mode I) and sliding mode (Mode II), were considered by applying remote tensile and shear loading, respectively, on the graphene sheet. In the atomistic simulation, the equilibrium configurations of the cracked graphene subjected to applied loadings, before and after the crack extension of 2 Delta a, were determined through molecular dynamics (MD) simulation, from which the variation of the potential energy and the strain energy release rate of the discrete graphene sheet because of crack extension was calculated accordingly. It is noted that because of the discrete attribute, there is no stress singularity near the crack tip, and thus, the concept of stress intensity factor that is generally employed in the continuum mechanics may not be suitable for modeling the crack behavior in the atomistic structures. For the sake of comparison, the continuum finite element model with the same geometric parameters and material properties as the atomistic graphene sheet was constructed, and the corresponding strain energy release rate was calculated from the crack closure method. Results indicated that the strain energy release rates obtained from the continuum model exhibit good agreement with those derived from discrete atomistic model. Therefore, it is suggested that the strain energy release rate is an appropriate parameter, which can be employed in the atomistic model and the continuum model for describing the fracture of covalently bonded graphene sheet. (C) 2009 Elsevier Ltd. All rights reserved.
Investigating the stress distribution of single walled carbon nanotubes embedded in polyimide nanocomposites
(2011-06-01)
Tzeng, Shi-Hua
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Tsai, Jia-Lin
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機械工程學系
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Department of Mechanical Engineering
The stress distribution of CNTs embedded within polyimide matrix subjected to applied loading was investigated using molecular dynamics simulation. The purpose of evaluating the stress distribution of CNTs is to characterize the loading transfer efficiency between the nano-reinforcement and surrounding polyimide matrix, which basically is an essential factor controlling the mechanical properties of nanocomposites. Three different interfacial adhesions between the CNTs and polyimide molecular were considered, that is, vdW interaction, CNTs with surface modification, and covalent bond. The stress distribution of the CNTs was calculated by using the Lutsko atomistic stress formulation 1,2 and by taking the derivative of the potential functions as well. Results revealed that when the CNTs surface was modified, the higher load transfer efficiency from the polyimide to the CNTs was observed resulting in the higher modulus of the nanocomposites. It is noted that, if no surface modification on CNTs, the load transfer efficiency which basically depends on the intensities of the vdW interaction is relatively low. As a result, the surface modification on CNTs is an effective manner to improve the load transfer efficiency as well as the modulus of nanocomposite, which should be suggested in the fabrication of CNTs nanocomposites.
Size effect on fracture behaviors of epoxy composites with micron and nano alumina particles
(2007)
Tzeng, Shi-Hua
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Tsai, Jia-Lin
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機械工程學系
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Department of Mechanical Engineering
This research is aimed to fabricate the nano and micron particle reinforced composites as well as to understand the particulate size effect on the mechanical behaviors of the composites. The stiffness, strength and fracture toughness were investigated in this study. Spherical alumina particles with diameters of 5 microns and 10-20 nano meters were dispersed respectively into the epoxy resin using the mechanical mixer followed by the sonication. To measure the stiffness and strength of the composites, coupon specimens were prepared and then tested in tension. On the other hand, the fracture toughness was evaluated by performing three point bending tests on the single edge notch bending specimens. Experimental results revealed that the Young's modulus of composites basically is not affected by particulate size; while, the tensile strength of the composites containing nano particles is higher than that with micron particles. From the fracture tests, it was indicated that the composites containing nano particles possess superior fracture toughness than the composites with micron inclusions.