Computational modeling can be a useful partner in biotechnology, in particular, in nanodevice engineering. Such modeling guides development through nanoscale views of biomolecules and devices not available through experimental imaging methods. We illustrate the role of computational modeling, mainly of molecular dynamics, through four case studies: development of silicon bionanodevices for sing...

Laser pyrolysis has been used to synthesize WO3 nanostructures. Spherical nano-particles were obtained when acetylene was used to carry the precursor droplet, whereas thin films were obtained at high flow-rates of oxygen carrier gas. In both environments WO3 nanowires appear only after thermal annealing of the as-deposited powders and films. Samples produced under oxygen carrier gas in the lase...

the electronic and structural properties of pristine and carbon doped (c-doped) boron nitride nano-ribbons(bnnrs) have been studied employing density functional theory (dft) calculations. total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated bnnrs. the results indicated that the stability and gap ...

The most important reason for the design of curved tubes is increasing the heat transfer between the fluid and the wall which has provided many applications in various industries such as air conditioning, micro-electric, heat exchangers and etc. The aim of this study is numerical investigation of nano fluids flow in spiral tubes with injection of base fluid in different Reynolds numbers. Accord...

The "carbon nano-world" has made over the past few decades huge contributions in diverse scientific disciplines and technological advances. While dramatic advances have been widely publicized in using carbon nanomaterials such as fullerenes, carbon nanotubes, and graphene in materials sciences, nano-electronics, and photonics, their contributions to biology and biomedicine have been noteworthy ...

We investigate the motion of a nano tippe top, which is formed from a C60 fullerene, and which is assumed to be spinning on either a graphene sheet or the interior of a single-walled carbon nanotube. We assume no specific geometric configuration for the top, however for example, the nano tippe top might be formed by joining a fullerene C60 with a small segment of a smaller radius carbon nanotub...

Nowadays, utilisation of Nano-materials as one of the most recent methods of bitumen modification has attracted attention of many researchers. However, not enough research has been pursued on their mixing with bitumen, because of their dimensions and specific properties. In this study, the carbon Nano-tubes were mixed with bitumen using different mixers and some images were recorded employing a...

Nano-graphene oxide (nano-GO) is a new class of carbon based materials being proposed for biomedical applications due to its small size, intrinsic optical properties, large specific surface area, and easy to functionalize. To fully exploit nano-GO properties, a reproducible method for its production is of utmost importance. Herein we report, the study of the sequential fracture of GO sheets ont...

the effective parameters of (5, 0) and (5, 5) single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. the interaction of carbon dioxide  molecules with internal and external walls of the nanotubes is studied using gaussian 03 coding by density functional theory (dft) at the b3lyp/6-311g level of theory. co2 rotation around tube axles vertically and par...