Sharif Digital Repository

Because of the possibility of various types of vacancies in cementite due to its crystalline structure, the focus of this paper was only on vacancies. In this regard, the formation energies of single, two, three and four vacancies of over than 120 different cases were calculated using first-principles method. For the case of single vacancy, the results were in three values of ~1.63, 1.39 and 0.78 eV according to iron vacancies at general positions, iron vacancies located on mirror planes and carbon vacancies in the interstitial positions, respectively. The results for the case of two, three and four vacancies were between from 2.10 to 3.34 eV, from 3.92 to 5.10 eV and from 4.77 to 6.33 eV,... 

A computational code, based on the genetic algorithm and MCNPX version 2.6 code was developed and used to investigate the effects of some important parameters of HPGe detector (such as Al cap thickness, dead-layer thickness and Ge hole size) on optimum dimensions of marinelli beaker. In addition, the effects of detector material on optimal beaker dimensions were also investigated. Finally, the optimized beaker dimensions at various beaker volumes (300, 500, 700, 1000 and 1500 cm3) were determined for some conventional Ge detectors with different crystal sizes (16 sizes). These sets of data then were used to drive mathematical formulas (obtained by best fitting to data sets). The results... 

Molecular dynamics simulations are employed to investigate the effects of Frenkel pairs resulted from displacement cascade in single-crystal α-Fe containing ~ 0.09 at.% C on the uniaxial tension behavior in α-Fe with and without the presence of a 12〈111〉{01¯1} edge dislocation. These point defects did not considerably change the elastic modulus. The drop in the ultimate tensile strength of perfect α-Fe is not very considerable, and it decreased by 2% in the case of the presence of the edge dislocation in α-Fe. The simulations showed there is a sudden phase transformation from BCC crystal structure to FCC and HCP with the beginning of the plastic deformation that the first one is predominant... 

In order to determine the activity of C137s in soil resulting from nuclear accidents or fallouts, the best choice is to use HPGe detectors due to their best energy resolutions. In this regard, in order to enhance the detection efficiency, the Marinelli beakers have been used to increase the radiation interaction with the sensitive volume of the detector. In previous works, to optimize the dimension of Marinelli beakers, the assumption was that the emission rate of the source is homogeneous in beaker volume. In the present study, to investigate the effect of the inhomogeneous emission rate of the source on the optimum dimensions of the beaker, in a simple case, the beaker was divided into two... 

In this paper, molecular dynamics simulations were used to investigate the effect of the presence of carbon atoms, either in dispersed form or C-rich region, in low-carbon α-Fe containing symmetric tilt grain boundary (STGB)with a boundary plane rotated about the 110 misorientation axis on the number of SIAs and vacancies produced by PKA energies of 3, 5, 7 and 9 keV at 300 K. Results were compared with the SIAs and vacancies produced in pure α-Fe. It was also shown that the presence of GBs in this Fe-C alloy has no effect on the time at which point defects reach to their maximum values at the thermal spike stage. On the other hand, the GBs decrease the number of point defects in comparison... 

α-Fe with low carbon content is a base material which is commonly used in manufacturing of Reactor Pressure Vessel (RPV) of commercial nuclear power plants. Carbon is generally diffused to α-Fe matrix to improve some of its mechanical properties. The presence of carbon may alter the irradiation response of the steel. In the current study, using molecular dynamics simulations, we have investigated the influence of carbon (∼in either dispersed form or carbon-rich region as chain) in the primary damage states of α-Fe low carbon steels. It is found that carbons in dispersed form have no significant effect on the self-interstitial atoms (SIAs) in α-Fe. While, carbon-rich (C-rich as... 

We used two digital methods—rise time discrimination (RTD) and an artificial neural network (ANN)—to simultaneously discriminate alpha particles and gamma rays detected by a phoswich detector (50 μm BC-400 coupled to 3 mm CsI(Tl)). The results for 10,000 pulses discriminated by the RTD method showed that the rise time distribution of the pulses is rather vast (between 200 and 800 ns for gamma rays and less than 40 ns for alpha particles). The same result was also observed in the dual-parameter diagram (pulse rise time versus area under the pulse) for an 241Am source. Then, as another approach, three pulse features—rise time, pulse height ratio, and charge ratio—were extracted from 2000... 

An expanding flight envelope in the landing phase of a typical jet transport aircraft in presence of strong wind shears using a learning capable control system (LCCS) is investigated. The idea stems fromhuman beings functional architecture that gives them the ability to do more as they age and gain more experience. With the knowledge that classical controllers lack sufficient generality to cope with nonlinear as well as uncertain phenomenon such as turbulent air, the focuse is on different types of intelligent controllers due to their learning and nonlinear generalization capabilities as candidates for the landing flight phase. It is shown that the latter class of controllers could be used... 

Nanofluid is the term applied to a suspension of solid, nanometer-sized particles in conventional fluids; the most prominent features of such fluids include enhanced heat characteristics, such as convective heat transfer coefficient, in comparison to the base fluid without considerable alterations in physical and chemical properties. In this study, nanofluids of aluminum oxide and copper oxide were prepared in ethylene glycol separately. The effect of forced convective heat transfer coefficient in turbulent flow was calculated using a double pipe and plate heat exchangers. Furthermore, we calculated the forced convective heat transfer coefficient of the nanofluids using theoretical... 

Molecular dynamics simulations were used to propose a closed-form expression for the mobility of the [Formula presented] edge dislocation in low-carbon α-Fe (up to 0.1 at.% C) at temperatures of 300, 400 and 500 K and applied shear stresses of 10–100 MPa. Considering this parameter helps us to understand the effect of damage cascade on the dislocation mobility. The results confirmed that the point defect clusters at the thermal spike stage of the cascade (that they can be considered as an unstable precipitation-like phase), the distance of damage cascade relative to the center of the dislocation core and forming carbon-vacancy (C–V) complexes are some rather stronger obstacles for movement... 

Desalination of sea saline water seems a successful solution to supply clean water. For desalination, novel nanoporous membranes have been proposed as a substitute for the classic reverse osmosis (RO) membranes. The one-atom-thick graphyne membrane has shown great potential in water desalination. By applying functional groups (FGs) into the pores of the monolayer graphyne membranes, the water permeability and the ion rejection were passively increased. The effects of applying various FGs such as Hydrogen, Fluorine, Carboxyl and Amine, effect of the salt concentration, the applied pressure, and the effective diameter of the graphyne pores were determined by molecular dynamics (MD)...