Sharif Digital Repository

Inertial microfluidics is utilized as a powerful passive method for particle and cell manipulation, which uses the hydrodynamic forces of the fluid in the channel to focus particles in specific equilibrium positions in the cross section of the channel. To achieve high performance manipulation, knowledge of focusing pattern of particles in the cross section of channel is essential. In this paper, we propose a method to address this important issue. To this end, firstly inertial microfluidics is analyzed in rectangular cross section channels. The results indicate that fluid flow velocity and channel's cross-sectional profiles have great impacts on the forces exerted on particles. Next, these... 

This paper presents synthesis and photophysical investigation of a very rare type of the ReI diimine complexes, [Re(diimine)(CO)3(OPR3)]+, R = Ph, Cy; diimine – phenanthroline and neocuproine, containing monodentate (unsupported) phosphine oxide ligands. The obtained compounds have been structurally characterized in solid phase by using XRD crystallography, which revealed unusual distortions in the pseudo octahedral rhenium environment, which may be ascribed to intramolecular interligand (phosphine oxide – diimine) interaction rather than to crystal packing effect. Optimization of the ground state structure of these molecules with the DFT method also confirmed intramolecular origin of the... 

The field of any point source which is broadened equally in all directions without any limitation to its range is within category of the inverse square law (ISL). As a case study, the dose equivalent (DE) rate is calculated. For calculating the DE rate, the radiation source can be divided into multiple layers and each layer is fractionated to multiple rectangular surfaces. Each rectangular surface can be replaced with three types of sectors. The DE rate of a source on a target is then sum of DE rates of sectors. The developed method is independent of the target position relative to the source and is used for the dose calculation of any arbitrary arrangement of source and target. As an... 

Density functional theory (DFT) calculations have been performed to investigate the electronic structure and photocatalytic activity of a hybrid Ag3PO4(111)/g-C3N4 structure. Due to Ag(d) and O(p) states forming the upper part of the valence band and C(p), N(p), and Ag(s) the lower part of the conduction band, the band gap of the hybrid material is reduced from 2.75 eV for Ag3PO4(111) and 3.13 eV for monolayer of g-C3N4 to about 2.52 eV, enhancing the photocatalytic activity of the Ag3PO4(111) surface and g-C3N4 sheet in the visible region. We have also investigated possible reaction pathways for photocatalytic CO2 reduction on the Ag3PO4(111)/g-C3N4 nanocomposite to determine the most... 

Nowadays, a wide range of enterprises are faced with big data processing in different domains such as transaction operations, business calculations and analytical computations. Large-scale computing is an approach for big data processing. Due to the cost of large-scale computing and limitations of enterprise budgets, it is hardly possible to process all the input data and therefore the Quality of Result (QoR) may be affected. SAIR is an approach to improve QoR of big data processing for aggregative usages based on significance variety when there is a budget constraint. In this paper, the most significant data portions have been assigned to the most efficient resources in terms of time and... 

Siligraphene belonging to the family of two-dimensional (2D) materials has great potential in optoelectronics due to its considerable excitonic effects. In this study, the strain effects on the electronic structure and the real-space exciton wave functions of g - SiC 7 are investigated using the first-principles calculations based on the ab initio many-body perturbation theory. Alongside the increase (decrease) of the bandgap with compressive (tensile) strain, our results show that the exciton in the siligraphene monolayer under in-plane biaxial compressive strains is much more localized than that in the case of tensile one, leading to the higher and lower exciton binding energies,... 

In this paper, an analytical method for calculation of the dose equivalent (DE) of coordinate surfaces of the Cartesian geometry is presented. DE of rectangular surfaces of gamma radiation emitters is calculated. The developed analytical method changes rectangular surface to multiple polar regions by dividing its surface into four types of sectors. By this method, the calculation of the dose is converted into calculation of simple mathematical series. The dose of rectangular shape sources for different gamma radiation emitters at different distances to target is calculated and the results are compared with MCNP code. Results show very good agreement. Advantages of the developed method are:... 

A new structure for the compression surfaces of a supersonic inlet is proposed which has improved the target performance parameter i.e. total pressure recovery ratio. This idea resulted in development of a new type of supersonic inlet, utilized four ramps and a cone simultaneously as the compression surfaces. A prototype of the proposed inlet has been designed for a free stream Mach number of 3 and its performance has been evaluated via numerical simulation for both design and off-design conditions. The performance of the newly designed inlet has been compared to the existing experimental data of two double-cone inlets. The acquired data are further compared with analytical calculations of... 

We propose an accurate analytical model for a circularly polarized antenna comprising a normally magnetized, grounded ferrite disk with a metalized top surface. The antenna is assumed to be excited by a conventional current probe. In the case of a thin ferrite disk, the electromagnetic fields of the dominant mode of the antenna do not vary in the direction normal to the disk. However, with increasing thickness of the ferrite disk, higher order modes start to affect antenna characteristics such as resonance frequency. This work presents an analysis of the structure that takes into account all higher modes of the antenna. To validate the theoretical calculations, HFSS simulations are... 

This study aimed to synthesize methoxy polyethylene glycol propionaldehyde (mPEG20,000-ALD) for the preparation of PEGylated nanoliposomal cisplatin. Nanocarriers such as liposomes are developed for a wide range of drug delivery systems. PEG with high molecular weight (Mw) is used to coat the liposomes. In this study, simulated Fourier transform infrared (FTIR) spectra of mPEG-ALD were obtained using density functional theory (DFT) calculations and then compared with actual FTIR spectrum of mPEG20,000-ALD (Mw = 20 kDa). We found that the intensity of C = O stretching vibration at 1,700 cm-1 related to the carbonyl functional group of mPEG20,000-ALD was very weak. The results of DFT... 

Oil spills are serious environmental issues that potentially can cause adverse effects on marine ecosystems. In some marine areas, like the Baltic Sea, there is a large number of wrecks from the first half of the 20th century, and recent monitoring and field work have revealed release of oil from some of these wrecks. The risk posed by a wreck is governed by its condition, hazardous substances contained in the wreck and the state of the surrounding environment. Therefore, there is a need for a common standard method for estimating the risks associated with different wrecks. In this work a state-of-the-art model is presented for spatial and stochastic risk assessment of oil spills from... 

Cu-CNT composites were fabricated by a flake powder metallurgy method, and their microhardness, electrical conductivity, frictional and wear properties were investigated. Homogenous distribution of CNTs in fine-grained Cu matrix was obtained using this process. Microhardness increased with the addition of CNT vol% up to 8% to the Cu matrix, while the conductivity decreased to 79.2 IACS %. Results showed that CNTs play a major role in improving wear resistance by forming a CNT-rich film that acts as a solid lubricant layer. In the synthesized composites, Cu- 4 vol% CNT composite exhibited the best wear and friction properties. The dominant wear mechanisms for the Cu-CNT composites were... 

In the previous researches, several theoretical equations were presented for calculation of buildup factor of the single layer shields. Also, the theoretical equations were offered for the two-layered shield that consist of the known materials. For other possible modes of the multi-layered shield, the buildup factor are usually calculated via experimental or simulated data. The purpose of present study is the extraction of the new theoretical equation for the gamma ray buildup factor of three-layered spherical shield made of water, concrete and iron based on the Monte Carlo calculation. To this end, the gamma ray buildup factor of the three-layered spherical shield is calculated via... 

The LLC resonant converter, as a promising solution for battery charger applications, has the ability to adjust its output voltage during Constant Current and Constant Voltage modes in the charging profile. However, its operation mode changes as switching frequency changes. Therefore, for efficiency-oriented optimizations in battery charger applications, the one-pointed efficiency is not an appropriate objective. To this end, in this paper, a multi-pointed averaged efficiency is considered for optimization along with the transformer volume. Another factor of a proper design for a wide output range LLC is the converter peak voltage gain that is calculated based on an accurate method. The... 

Symmetrical and unsymmetrical biscyclometalated platinum(II) complexes [Pt(ptpy)2], 1, and [Pt(ptpy)(bppy)], 2, in which ptpy = deprotonated 2-(p-tolyl)pyridine and bppy = deprotonated 2-(3-bromophenyl)pyridine, have been prepared from the reaction between tris(pentafluorophenyl)borane, B(C6F5)3 and 1 equiv of monocyclometalated complexes [PtMe(ptpy)(ptpyH)], B, and [PtMe(ptpy)(bppyH)], C, respectively. The solid-state structures of 1 and 2 have been determined by X-ray crystallography. The reaction of 1 with 1 equiv of TlPF6 or [Au(PPh3)]OTF resulted in the production of heteronuclear complexes [Pt(ptpy)2Tl]PF6, 3 and {Pt(ptpy)2[Au(PPh3)]}OTF, 4, respectively. X-ray diffraction data showed... 

We have studied the pressure-induced structural, magnetic and electronic properties of AeFe 2 As 2 (Ae = Ba, Sr, Ca) compounds in the framework of density functional theory within the GGA-PBE method. The effects of chemical pressure generated by Sr and Ca substitutions in BaFe 2 As 2 have been investigated. We have found a magnetic transition at the same primitive unit cell volume, around 81 Å 3 for the (Ba⧹Ca)Fe 2 As 2 compounds, which predicts a magnetic transition pressure of 12 GPa for SrFe 2 As 2 . The structural parameters of FeAs 4 tetrahedra are obtained after ionic relaxation and compared with the existing experimental results. The change of these internal parameters is ascribed to... 

This paper presents the developed computer codes based on the Adaptive Group of Ink Drop Spread (AGIDS) algorithm [1] for the reconstruction of the energy spectrum of the neutron source. The required data are generated via simulation of the neutron pulse height distributions due to randomly generated energy spectra with the MCNPX-ESUT computer code [2]. The simulated neutron pulse height distributions and corresponding randomly generated energy spectra are the input and output data of the developed computer code, respectively. As a case study, the 241Am-9Be neutron source is studied and the simulation of the neutron pulse height distribution of the NE-213 liquid organic scintillator is... 

We present a novel method for deriving the governing equations of the musculoskeletal system, a new class of multibody systems in which the constituent components are connected together via anatomical joints which behave differently compared with traditional mechanical joints. In such systems, the kinematics of the joints and the corresponding constraints are characterized experimentally. We generate the equations of motion of these complex systems in which the homogeneous transformation matrices become matrix-valued functions of the generalized coordinate vector due to the empirical expression of body coordinates as smooth functions of generalized coordinates. The detailed mathematical... 

This paper presents a developed computational code based on Support Vector Machine (SVM) for reconstruction of energy spectrum of neutron source. To reconstruct unknown energy spectrum using known neutron pulse height distribution, the developed machine is trained by known neutron pulse height distribution of detector and corresponding energy spectrum of neutron source. Validation and testing are the next steps to verify the validity of the calculations done with the developed computational code. The calculated neutron pulse height distributions due to randomly generated energy spectrum using MCNPX-ESUT (MCNPX-Energy engineering of Sharif University of Technology) computational code are used... 

To date, the examination of surface energy and surface layer relaxation has been the subject of several experimental and simulation works, whereas evaluation of surface residual stresses and surface elastic constants has received very little attention. In addition to the fundamental importance of these properties in the understanding of such phenomena as crystal equilibrium shape, surface roughening and segregation, they are also crucial for use in the theoretical studies based on continuum theory of elastic material surfaces. This work focuses on developing a theoretical approach for the calculations of the surface residual stress and surface elastic constants for (100) planes of fcc...