Sharif Digital Repository

In this paper, the simulation of biomolecules manipulation using molecular dynamics (MD) is studied. In order to investigate the manipulation behavior, we have used the ubiquitin as biomolecule, a single-walled carbon nanotube (SWCNT) as manipulation probe, a two-layer graphene sheet as substrate. Along this line, a series of simulations are conducted to study the effects of different conditions on the success of manipulation process. These conditions include tip diameter, vertical gap between the tip and substrate, initial orientation of protein, and the tip position with respect to the biomolecule  

With the rapid progression of bionanorobotics, manipulation of nano-scale biosamples is becoming increasingly attractive for different biological purposes. Nevertheless, the interaction between a robotic probe and a biological sample is poorly understood and the conditions for appropriate handling is not well-known. Here, we use the molecular dynamics (MD) simulation method to investigate the manipulation process when a nanoprobe tries to move a biosample on a substrate. For this purpose, we have used Ubiquitin (UBQ) as the biomolecule, a single-walled carbon nanotube (SWCNT) as the manipulation probe, and a double-layered graphene sheets as the substrate. A series of simulations were... 

In the present study, free vibrations and stability of rotating single walled carbon nanotubes (SWCNT) is investigated by nonlocal theory of elasticity; while the CNT is partially resting on an elastic foundation. The governing equations of motion are presented by using Love's shell assumptions. An exact series expansion method of solution is employed and very accurate results are obtained. Some parameter studies including the effects of rotating speed, foundation stiffness, slenderness ratio and nonlocal parameter on the natural frequency and stability margins of the current model are studied. The studies show that rotation rates and foundation elasticity can contribute significantly in the... 

This paper is concerned with the stability analysis of bridged single walled carbon nanotubes (SWCNT) under temperature changes. A molecular structural mechanics model is utilized to investigate the free vibration frequencies and thermal buckling of SWCNT. In comparison with most of the previous studies, a temperature-variable thermal-expansion-coefficient is used that is negative under a certain temperature. Also thermal variation of Young's modulus of the CNTs is considered. Several studies are performed to investigate the critical temperature change due to heating and cooling of SWCNTs with different chiralities and slenderness ratios and the stability boundaries are determined  

By considering a single-walled carbon nanotube (SWCNT) as a two-dimensional elastica obtained from the roll-up of a graphene sheet into a circular tube, the present paper develops a precise well-posed continuum theory for describing the entire torsional behavior of SWCNTs from an initial unloaded state through their ultimate levels of loading. In addition, the proposed approach can capture the dual ideal shear strengths as well as the asymmetrical behavior of chiral tubes with respect to the direction of the applied torsional loading. The theory incorporates a highly nonlinear constitutive equation which provides information about the nanoscopic morphological parameters of the tubes. As it... 

Supported Pt–TiO₂ photocatalysts on carbonaceous supports were synthesized by the electrostatic self-assembly method to study CO₂ photoreduction to produce CH₄. Catalytic activities of the prepared photocatalysts were correlated with the particle size and dispersion of the active metal, which in turn depended on the type of carbonaceous support used, varying in the order of multi-walled carbon nanotubes (MWCNT) > Single-walled carbon nanotubes (SWCNT) > reduced graphene oxide > activated carbon. Generally, all catalysts were highly photoresistant with less than 5% loss of activity in terms of CH₄ yield. Pt–TiO₂/multi-walled carbon nanotubes exhibited better catalytic activity compared with...