Sharif Digital Repository

Molecular dynamics simulations are carried out to investigate the manipulation of metallic clusters on double-layer surfaces. The system parts are made of transition metals. The conditions which are subjected to change in the tests are material combinations for cluster, main substrate and lubricant layer (adlayer). In addition to qualitative observations, two criteria which represent the particle deformation and substrate abrasion are utilized as evaluation tools and are computed for each case. Obtaining this sort of knowledge is highly beneficial for further experiments in order to be able to plan the conditions and routines, which guarantee better success in the manipulation process  

Based on the fact that the manipulation of fine nanoclusters calls for more precise modelling, the aim of this paper is to conduct an atomistic investigation for interaction analysis of particle-substrate system for pushing and positioning purposes. In the present research, 2D molecular dynamics simulations have been used to investigate such behaviours. Performing the planar simulations can provide a fairly acceptable qualitative tool for our purpose while the computation time is reduced extremely in comparison to 3D simulations. To perform this study, Nose-Hoover dynamics and Sutton-Chen interatomic potential will be used to investigate the behaviour of the aforementioned system. Pushing of... 

Molecular dynamics simulations are carried out to investigate the manipulation of metallic clusters on stepped surfaces. Five surface forms are considered in the simulations. The system parts are made of pure transition metals and Sutton-Chen many-body potential is used as interatomic potential. The conditions which are subjected to change in the tests include: materials used for particles and substrate, and surface step conditions. In addition to qualitative observations, two criteria which represent the particle deformation and substrate abrasion are utilized as evaluation tools and are computed for each case. Simulation results show the effect of the aforementioned working conditions on... 

Noise analysis techniques including Feynman-α (variance-to-mean) and Rossi-α (correlation) have been simulated by MCNP computer code to calculate the prompt neutron decay constant (α0), effective delayed neutron fraction (βeff) and neutron generation time (Λ) in a subcritical condition for the first operating core configuration of Tehran Research Reactor (TRR). The reactor core is considered to be in zero power (reactor power is less than 1 W) in the entire simulation process. The effect of some key parameters such as detector efficiency, detector position and its dead time on the results of simulation has been discussed as well. The results of proposed method in the current study are... 

This paper presents a new approach for fuel burn up evaluation and radioactive inventory calculation used in Tehran Research Reactor. The approach is essentially based upon the utilization of a program written by C# which integrates the cell and core calculation codes, i.e., WIMSD-4 and CITVAP, respectively. Calculation of fuel burn up and radioactive inventories has been done for 26 core configuration of Tehran Research Reactor with HEU fuel element. The present inventory and fuel enrichment of each fuel element have been calculated  

The nitrate-citrate gel exhibits auto-catalytic behavior, which can be used to synthesize nanocrystalline YIG powders. In this study, yttrium iron garnet (Y3Fe5O12) nanocrystalline powders were prepared by a sol-gel auto-combustion process. The influence of metal nitrates to citric acid molar ratio (MN/CA) of the precursor solution on the combustion behavior and crystallite size of synthesized powders was investigated by scanning electron microscopy (SEM), thermal analyses (DTA/TGA) and X-ray diffraction (XRD). The results show that with increasing MN/CA value, the combustion rate increases and the single-phase YIG forms at a higher temperature. The crystallite size of the single phase YIG... 

In this study, the fatigue behavior of composite reinforced cracked aluminum 1050 plates is investigated experimentally and numerically. The tests are conducted in four different stress ratios between 0 and 1. At first step, plates with similar cracks and geometries have been prepared. Then the glass/epoxy patches have been attached to the cracked plates using Araldite 2015 adhesive. Fatigue load has been applied to three cases of samples including non-patch, one-side patch and two-side patch, where in all stress ratios the maximum force is considered constant. A three-dimensional finite element analysis is developed in ABAQUS. A good correlation between finite element results and the... 

Nanocrystalline Y3-xMMxFe5O12 powders (MM denotes Misch-metal, x = 0.0, 0.25, 0.5, 0.75, and 1.0) were synthesized by a sol-gel combustion method. Magnetic properties and crystalline structures were investigated using X-ray diffraction (XRD), a vibrating sample magnetometer (VSM), and a scanning electron microscope. The XRD patterns showed that the single-phase garnet of Y3-xMMxFe5O12 was formed at x values ≤ 1.0. The saturation magnetization of powders increased with decreasing MM content and reached the maximum value at Y3 Fe5O12. The crystallite size of powders calcined at 800°C for 3 h was in the range of 38-53 nm. © 2008 American Ceramic Society  

The nitrate-citrate gels exhibit auto-catalytic behavior, which can be used to synthesize the nanocrystalline YIG powders. In this study yttrium iron garnet (Y3Fe5O12) nanocrystalline powders were prepared by a sol-gel auto-combustion process. The influence of pH value of the precursor solution on the combustion behavior and the garnet phase formation of synthesized powders were investigated by scanning electron microscopy (SEM), thermal analysis (DTA/TGA), infrared (IR) spectroscopy and X-ray diffraction technique (XRD). The results show that with increasing pH value, the combustion rate increases. The as-burnt powder prepared with pH 1 yielded a single phase YIG after calcination at 800... 

Developing a simple, cost effective and accurate detection method for L-lysine (Lys), L-leucine (Leu) and glycine (Gly) as the important analytes in clinical diagnostics, biological processes and food industries is of great significance. Herein, we prepared spin-coated TEMPO-oxidized cellulose nanofibrils (TOCNFs) on Quartz Crystal Microbalance (QCM) chip to achieve QCM biodetectors. The coated QCMs were carefully characterized before and after interaction with amino acids (AA) using water contact angle (WCA), Fourier transform infrared spectrophotometry-attenuated total reflectance (FTIR-ATR), Raman spectroscopy, and scanning electron microscopy (SEM). In addition, to study the response of... 

In this paper, a two-component Lattice Boltzmann Method (LBM) has been utilized to simulate the natural convection of TiO2-water nanofluid in a curved geometry. The main purpose of this research is to study the effect of nanoparticle size and also boundary conditions on the thermal characteristics of the nanofluid. Furthermore, the effect of Rayleigh number (Ra) and volume fraction of nanoparticles (ϕ) on the average Nusselt number (Nuave) have been investigated. Two different thermal boundary conditions, namely adiabatic and constant temperature, have been considered in the current work for the curved boundaries. The Rayleigh number varies from 103 to 109. Four different sizes, namely 10,... 

The purpose of the present study is to develop the 3D static and noise simulator based on Galerkin Finite Element Method (GFEM) using the unstructured hexahedral elements. The 3D, 2G neutron diffusion and noise equations are discretized using the unstructured hexahedral by considering the linear approximation of the shape function in each element. The validation of the static calculation is performed via comparison between calculated results and reported data for the VVER-1000 benchmark problem. A sensitivity analysis of the calculation to the element type (unstructured hexahedral or tetrahedron elements) is done. Finally, the neutron noise calculation is performed for the neutron noise... 

In the present paper, neutron spectrum is reconstructed using the Artificial Neural Network (ANN) and Modified Least Square (MLSQR) methods. The detector's response (pulse height distribution) as a required data for unfolding of energy spectrum is calculated using the developed MCNPX-ESUT computational code (MCNPX-Energy engineering of Sharif University of Technology). Unlike the usual methods that apply inversion procedures to unfold the energy spectrum from the Fredholm integral equation, the MLSQR method uses the direct procedure. Since liquid organic scintillators like NE-213 are well suited and routinely used for spectrometry of neutron sources, the neutron pulse height distribution is... 

In the present study, the comparison between the results obtained from the linear and quadratic approximations of the Galerkin Finite Element Method (GFEM) for neutronic reactor core calculation was reported. The sensitivity analysis of the calculated neutron multiplication factor, neutron flux and power distributions in the reactor core vs. the number of the unstructured tetrahedron elements and order of the considered shape function was performed. The cost of the performed calculation using linear and quadratic approximation was compared through the calculation of the FOM. The neutronic core calculation was performed for both rectangular and hexagonal geometries. Both the criticality and... 

In the present paper, development of the three-dimensional (3D) computational code based on Galerkin finite element method (GFEM) for solving the multigroup forward/adjoint diffusion equation in both rectangular and hexagonal geometries is reported. Linear approximation of shape functions in the GFEM with unstructured tetrahedron elements is used in the calculation. Both criticality and fixed source calculations may be performed using the developed GFEM-3D computational code. An acceptable level of accuracy at a low computational cost is the main advantage of applying the unstructured tetrahedron elements. The unstructured tetrahedron elements generated with Gambit software are used in the...