Sharif Digital Repository

Phonon detector can be designed by using colloidal silver nanoparticle (Ag NP) in presence of 1-Ethyl-3-methylimidazolium Hexafluorophosphate [EMim][PF6] ionic liquid (IL) via computational technique as the first time for many and high performance biosensors applications. Density functional theory as a quantum chemistry calculation method has been used to get the potential interaction between silver metal and ionic solvent. Molecular dynamics simulation shows that in small sizes of colloidal Ag NP in [EMim][PF6], electrical effect of IL makes one main phonon peak and in big size of colloidal Ag NP, splitting of phonon density occurs with two peaks due to the lower electrical field of IL with... 

Molecular dynamic simulation was performed to calculate the configurational entropy and the free energy for colloidal silver nanoparticles (Ag NPs) in 1-Ethyl-3-methylimidazolium Hexafluorophosphate [EMim][PF6] ionic liquid (IL). Furthermore, the density functional theory (DFT) was used to get the potential interaction between the metal surface and ion in IL. The effect of size and temperature on the configurational entropy and the free energy of colloidal Ag NPs were investigated. Then, it was compared with the gas phase. The Tsallis nonextensivity of entropy was investigated for different sizes of colloidal Ag NPs and it was shown that sub-extensivity of entropy occurs for colloidal Ag... 

Three-dimensional unsteady flow field around a finite circular cylinder standing in a flat-plate boundary layer is studied. For this purpose, two different numerical turbulence approaches as wall adapted local eddyviscosity LES (LES-WALE) and the zonal hybrid RANS-LES approach of Detached-Eddy Simulation (Zonal-DES) are used. Analysis is carried out for a finite circular cylinder with diameter of D = 3 mm and length-to-diameter ratio of L/D=6 which leads to the Reynolds number 2×104. Numerical simulation has been performed based on the LES-WALE and Zonal-DES turbulence models using coarse and fine grids. Ability and accuracy of two models in capturing the complex physics of present... 

Single-walled carbon nanotubes (SWCNTs) can be promising delivery nanodevices for a diverse range of applications, however, little is known about their dynamical interactions with moving nanoscale particles. In this paper, dynamic response of a SWCNT subjected to a moving nanoparticle is examined in the framework of the nonlocal continuum theory of Eringen. The inertial effects of the moving nanoparticle and the existing friction between the nanoparticle surface and the inner surface of the SWCNT are incorporated in the formulation of the problem. The equivalent continuum structure associated with the SWCNT is considered and modeled using nonlocal Rayleigh beam theory under simply supported... 

The free longitudinal vibration of tapered nanowires is investigated in the context of nonlocal continuum theory. The problem is studied for the nanowires with linearly varied radii under fixedfixed and fixedfree boundary conditions. In order to assess the problem in a more general form, a perturbation technique is proposed based on the Fredholm alternative theorem. The natural frequencies, corresponding mode shapes, and phase velocities of the tapered nanowires are derived analytically up to the second-order perturbation for different boundary conditions. The predicted results by the perturbation technique are successfully verified with those of the exact solution. The obtained results... 

A single-walled nanotube structure embedded in an elastic matrix is simulated by the nonlocal EulerBernoulli, Timoshenko, and higher order beams. The beams are assumed to be elastically supported and attached to continuous lateral and rotational springs to take into account the effects of the surrounding matrix. The discrete equations of motion associated with free transverse vibration of each model are established in the context of the nonlocal continuum mechanics of Eringen using Hamilton's principle and an efficient meshless method. The effects of slenderness ratio of the nanotube, small scale effect parameter, initial axial force and the stiffness of the surrounding matrix on the natural... 

Geophysical information such as the Earth geomagnetic field and gravity gradient (GG) data can provide a basis for autonomous concurrent orbit and attitude estimation (COAE) of satellites in low earth orbits (LEO), as magnetometers and gravity gradiometer measurements are in general functions of time, position as well as the vehicle's orientation. While gradiometer has recently been investigated just for orbit estimation (OE), the current study is focused on COAE via only utility of the GG data. To this aim, observability conditions are analyzed, where the sensitivity of the proposed COAE approach with respect to various system and roto-translational elements is also examined. Considering... 

Smoking is known as a major cause of chronic obstructive pulmonary disease (COPD) and hence immediate and effective interventions are required for its elimination. This study aimed to collect valid data with regard to cigarette smoking in adult population of north of Iran for policy making by a meta-analysis of the documents of national non-communicable disease risk factors surveillance system. We investigated relevant evidences by searching in published and non-electronic databases. Data were extracted based on variables such as year of the study, sex, age group and prevalence of smoking habit. Based on results of heterogeneity, we applied fixed or random effects model to estimate the... 

Nanowire arrays of copper oxide were first grown vertically using simple and cost effective thermal oxidation method on a copper foil. Subsequently, in order to deposit and grow PbS nanocyrstalline thin films on CuO NWs by utilizing the chemical bath deposition technique, these arrays were immersed as the substrate in the reaction solution consisting of Pb(NO3)2, (NH2)2CS and NaOH. The final products were characterized in detail by which the formation of uniform, unique arrays of CuO@PbS core–shell NWs was confirmed. Due to the nature of methods employed in synthesis of this hetero structure, the tuning of core and shell size and consequently properties of the novel structure is easily... 

The bidentate carboxamide ligand N-(thiazole-2-yl) picolinamide (LH) was synthesized in the environmentally friendly ionic liquid TBAB, and the five-coordinated CuII-complex, [Cu(L)2(H2O)].CHCl3 (1) was synthesized from LH and copper(II)acetate. Cupric oxide [CuO] nanoparticles (2) have been prepared by the thermal decomposition of (1) as a new precursor at 600 °C for 3 h under air atmosphere. (1) was characterised using FT-IR spectroscopy, elemental analyses and its solid state structure was confirmed by single crystal X-ray diffraction. (2) were identified by FT-IR spectroscopy, X-ray powder diffraction, scanning electron microscopy, energy dispersive X-ray analysis and thermo-gravimetric... 

The complexes PdII(qcq)(OAc) and PtII(qcq)Cl have been synthesized using environmentally benign synthesized ligands and characterized by elemental analyses: Fourier transform infrared spectroscopy, UV–visible spectroscopy, 1H NMR spectroscopy, and X-ray diffraction. The catalytic activity of the complex was assessed, in different media, for the Mizoroki–Heck coupling reaction for typical aryl halides and terminal olefins under aerobic conditions. Since the base and the solvent were found to influence the efficiency of the reaction, reaction conditions, temperature, time, and the amount of K3PO4 and a mixture of H2O/PEG, were optimized. We found, for the Mizoroki–Heck reaction coupling less... 

The new Co(II) - carboxamide complex (1) and Co3O4 nanoparticles (2), by way of thermal decomposition of (1) have been efficiently synthesised in the environment-friendly. X-ray diffraction reveals a slightly distorted octahedral coordination of cobalt (four nitrogens and two oxygens) in (1) and regular octahedral or tetrahedral ones (oxygens only) in (2). The investigation of (1) and (2) in the Mizoroki-Heck and epoxidation of alkens reactions showed them both to be powerful, green and inexpensive catalysts. © 2020 John Wiley & Sons, Ltd  

Dynamic analysis of nanotube structures under excitation of a moving nanoparticle is carried out using nonlocal continuum theory of Eringen. To this end, the nanotube structure is modeled by an equivalent continuum structure (ECS) according to the nonlocal Euler-Bernoulli, Timoshenko and higher order beam theories. The nondimensional equations of motion of the nonlocal beams acted upon by a moving nanoparticle are then established. Analytical solutions of the problem are presented for simply supported boundary conditions. The explicit expressions of the critical velocities of the nonlocal beams are derived. Furthermore, the capabilities of various nonlocal beam models in predicting the... 

This study was conducted to investigate the flow structures of turbulent flow passing over a short finite cylinder in which a rigid flag is attached to the rear of the cylinder, in wake region. The length-to-diameter ratio of the cylinder was chosen to be L/D = 2, whereas the rigid flag had a width-to-diameter ratio of W/D = 1.5. Wall-adapted large-eddy simulation (LES-WALE) was used to resolve unsteady turbulent flow structures. The far field Reynolds number based on cylinder diameter was chosen to be 20,000. The results were compared with the regular case wherein no flag was attached to the cylinder. Results revealed that the flow pattern behind the cylinder with flag was totally different... 

Sliding innovation filter (SIF) has recently been introduced as a robust strategy for estimation of linear systems. The SIF has been extended to nonlinear systems via analytical linearization. However, as the performance of the extended SIF (ESIF) degrades in the presence of severe nonlinearities, this article has initially developed a derivative-free cubature SIF (CSIF) that uses statistical linearization for the error propagation. In addition, the SIF gain has been reformed to incorporate the innovation covariance matrix, thus reducing the estimation error. Furthermore, the adaptive fading factor has been employed to strengthen the robustness and convergence properties of the CSIF against...