Sharif Digital Repository

The classical methods utilized for modeling nano-scale systems are not practical because of the enlarged surface e ects that appear at small dimensions. Contrarily, implementing more accurate methods is followed by prolonged computations as these methods are highly dependent on quantum and atomistic models, and they can be employed for very small sizes in brief time periods. In order to speed up the Molecular Dynamics (MD) simulations of the silicon structures, Coarse-Graining (CG) models are put forward in this research. The procedure involves establishing a map between the main structure's atoms and the beads comprising the CG model and modifying the parameters of the system so that the... 

The use of hybrid filler is a promising strategy for development of thermally conductive polymer composites. This paper reported the measurement of thermal conductivity of the epoxy composite filled with a hybrid filler of graphene nanoplatelet (GNP) and silicon carbide (SiC) microparticles. For this hybrid filler, the effect of the average size of SiC on composite thermal conductivity was examined. The results showed that the thermal synergistic effect was highly affected by the average size of the SiC. By using a hybrid filler of 11% vol. GNP and 9% vol. 1 µm-size SiC micro-particles thermal conductivity has reached 3.44 W m−1 K−1. This value is 42% higher than the thermal conductivity of... 

Diatoms are unicellular microalga found in soil and almost every aquatic environment (marine and fresh water). Biogenic silica and diatoms are attractive for biotechnological and industrial applications, especially in the field of biomedicine, industrial/synthetic manufacturing processes, and biomedical/pharmaceutical sciences. Deposition of silica by diatoms allows them to create micro- or nanoscale structures which may be utilized in nanomedicine and especially in drug/gene delivery. Diatoms with their unique architectures, good thermal stability, suitable surface area, simple chemical functionalization/modification procedures, ease of genetic manipulations, optical/photonic... 

Nowadays, increasing the CO2 emissions are one of the inevitable challenges in the world. In addition, in many industries, fossil fuels are the main source of energy demands which worsen the problem. Since in most applications, the performance and energy loss are highly affected by the drag force, many investigations have been proposed to improve the surface properties to moving surface against the water, and consequently, increasing drag reduction. To this end, one effective way is utilizing superhydrophobic coatings. In this study, we prepare two different superhydrophobic coatings using Al2O3 nanoparticles (NPs) modified by HMDS (1,1,1,3,3,3-Hexamethyldisilazane) and PDMS... 

Power consumption of wellbore drilling in oil and gas exploitations count for 40% of total costs, hence power saving of WBM (water-based mud) by adding different concentrations of Al2O3, TiO2 and SiO2 nanoparticles is investigated here. A high-speed Taylor–Couette system (TCS) was devised to operate at speeds 0–1600 RPM to simulate power consumption of wellbore drilling using nanofluids in laminar to turbulent flow conditions. The TCS control unit uses several sensors to record current, voltage and rotational speed and Arduino microprocessors to process outputs including rheological properties and power consumption. Total power consumption of the TCS was correlated with a second-order... 

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