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Studying of connection between a carbon nanotube (CNT) and its surrounding matrix is an important issue in investigation of the behavior of nanocomposites reinforced with carbon nanotubes. In this paper, the carbon nanotube and its surrounding matrix is considered as a volume element and its mechanical behavior is analyzed using finite element method. Interface joints are modeled utilizing nonlinear spring elements; and effective force between CNT and matrix is determined based on Lennard-Jones equation. The interface thickness is changed between 1.7-3.8Am, to study its effect on the volume element behavior. Tensile loading of volume element is applied in two ways to investigate the perfect connection between nanotube and matrix. Subsequently, tensile longitudinal elastic modulus of volume elements with different aspect ratios of nanotube and thickness of interface are calculated and compared with the results of rule of mixture theory in micro mechanics field. The results of this research indicate that for low aspect ratios, the amount of elastic modulus is near to individual resin or nanotube. But, increasing the aspect ratio causes the connections to be more efficient and results converge to rule of mixture

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In the present paper, Molecular Dynamics Simulation (MDS) is performed for Poiseuille flow of liquid Argon in a nanochannel by embedding the fluid particles in an external force with different potential functions. Three types of Lennard-Jones (LJ) potentials are used as interatomistic or molecular models for evaluations of interactions and density, velocity profiles across the channel are investigated. The interatomic potentials are LJ 12-6 potential, LJ 9-6 potential and LJ-Smooth potential. Density and velocity profiles across the channel are investigated. Obtained results show that hydrodynamic characteristics and behavior of flow depends on the type of interaction potential. It is shown that the LJ 9-6 predictions for velocity and temperature are larger than those of LJ12-6 and LJ-Smooth potentials. Also, applying LJ 9-6 results in further calculations time. The results show the effect of interaction force model on the understanding and analyzing of nanoscale flows.

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In the present study, a molecular based scheme has been developed for simulating of surface roughness and cavitation effects on nano- scale flows. In the nano-channel flows, there are some differences on the flow friction between roughness and cavitations which are not well studied. In the presented approach, based on the Molecular Dynamics Simulation (MD), the Lennard-Jones potential is used to modeling the interactions between particles. Each atom of the solid wall is anchored at its lattice site by a harmonic restoring force and its temperature has been controlled by utilizing thermostat.The roughness and cavitation have been implemented on the lower side of channel. To make a comparison between the effect of roughness and cavitation, the same dimension is used for both of them. Obtained results show, those hydrodynamic characteristics of flow and the walls shear stress depends on the roughness and cavitation sizes. The roughness on the bottom wall has more effect than cavity wall on the velocity and density profiles. Also results show that the presence of roughness on the bottom wall respectively increases the shear stress on the bottom wall and decreases its value on the top wall while, the presence of cavitation on the bottom wall has no effect on the top wall and just increase the bottom wall shear stress.