Sharif Digital Repository

The structural and electronic properties of YBa2Cu3O7 have been investigated by the total energy-pseudopotential method within the local density approximation. We have calculated the charge density, length of bonds, band structure and density of states for ambient and high pressures, and the change of hole concentration with pressure in this system. Our results show increase of holes in both CuO2 planes and Cu-O chains under high pressures. Bulk modulus and equilibrium volume have also been calculated to be equal 184 GPa and 174.89 Å3, respectively. © 2001 Elsevier Science B.V. All rights reserved  

The structural and electronic properties of YBa2Cu3O7 have been investigated by the total energy-pseudopotential method within the local density approximation. We have calculated charge density and length of bonds for ambient and high pressures, and the change of hole concentration with pressure in this system. Our results show the increase of holes in both CuO2 planes and Cu-O chains under high pressures. Bulk modulus and equilibrium volume have been also calculated to be 184 GPa and 174.89 Å3, respectively. © 2002 Elsevier Science B.V. All rights reserved  

In this work, high-pressure microscopy technique was used to measure the size and fractal dimension of asphaltene aggregates formed in different live oil samples at elevated pressures and temperatures. It was found that the asphaltene aggregates in live oil samples are irregular fractal-like structures with pressure−temperature-dependent fractal dimensions. By monitoring the variation of the fractal dimension and size of the asphaltene aggregates with pressure and temperature, the mechanisms responsible for asphaltene aggregation process at elevated pressures and temperatures can be well predicted. The range of fractal dimension of asphaltene aggregates in live oils is similar to that... 

The main goal of high-pressure torsion (HPT) process is to reduce the grain size. Experiments have shown that this aim is achievable, but there is a limit in reducing the grain size. The present paper investigates this limit through a thermodynamics-based model. However, this was investigated by other researches through dislocation density-based model. At first, the validity of the model in description of the limiting grain size obtainable by HPT of different materials is examined. Then, the influence of inherent material parameters is investigated. Finally, the present results are compared with those obtained by equal channel angular pressing. © 2019, © 2019 Institute of Materials, Minerals... 

An approach composed of the thermodynamics-based dislocation model and the Taylor theory is used to investigate the evolution of microstructure and flow stress during high-pressure torsion (HPT). The incremental temperature rise is considered through the modelling of HPT. The temperature can affect the annihilation of dislocations and thus the dislocation density. The model predicts the dislocation density, sub-grain size and flow stress during HPT. The modelling results are compared with the experimental data and the modelling results without considering the incremental temperature rise. A remarkable agreement is observed between the modelling results with considering the temperature rise... 

In this work, high-pressure microscopy technique was used to measure the size and fractal dimension of asphaltene aggregates formed in different live oil samples at elevated pressures and temperatures. It was found that the asphaltene aggregates in live oil samples are irregular fractal-like structures with pressure−temperature-dependent fractal dimensions. By monitoring the variation of the fractal dimension and size of the asphaltene aggregates with pressure and temperature, the mechanisms responsible for asphaltene aggregation process at elevated pressures and temperatures can be well predicted. The range of fractal dimension of asphaltene aggregates in live oils is similar to that... 

N-1-naphthylphtalamic acid (naptalam) and its degradation products, 1-naphthylamine and N-(1-naphthyl) phthalimide were simultaneously determined in river water by two independent mass spectrometric (MS) methods. These were negative ion MS (NIMS) and programmable temperature vaporizer gas chromatography mass spectrometry (PTV-GC MS) with electron impact ionization (positive ions). Prior to the NIMS analysis, the samples were preconcentrated by solid phase extraction (SPE) of C18 membrane discs. The PTV-GC MS studies were performed without any preconcentration procedure. Selected ion monitoring (SIM) and internal standardization with naphthalene were applied in both methods. The limits of... 

In spite of the development of different experimental methods and theoretical models devoted to understand and predict the asphaltene behavior in dead/model oils, the asphaltene aggregation phenomena in live oil systems at high pressure-high temperature conditions has been grossly missing in the available literature. In this study, a population balance model with geometric scaling approach is proposed to simulate the asphaltene aggregates growth in time for live oil systems. Appropriate collision kernels are incorporated to describe the aggregation mechanisms taking into account the effect of pressure, temperature and oil characteristics. In modeling of the asphaltene aggregation phenomena... 

Asphaltene precipitation and deposition is a serious issue in all facets of petroleum production and processing. Despite the numerous experimental efforts concerning asphaltenes, the effect of temperature on asphaltene precipitation and aggregation in live oils remains an elusive and controversial subject in the available literature. In this work, a series of high pressure-high temperature depressurization experiments were designed to assess the effect of temperature on asphaltene precipitation and aggregation in light live oils. Asphaltene related experiments were performed using a high pressure microscope and high pressure-high temperature filtration setup on a light live oil with a low... 

In this study, multi-component CFD and DSMC solvers are used to study the gas mixture flow through a separation micronozzle at different pressure ratios. The resulting velocity and mole fraction fields, which are predicted by these solvers, are compared with each other to examine the effects of flow rarefaction on the mixture flow and the species separation and to evaluate the validity of continuum flow theory provided by the CFD solver. The results indicate good agreement of the velocity and mole fraction fields in the regions in which the pressure is sufficiently high. A decrease in pressure value, which is the result of increasing the pressure ratio at a constant inlet pressure, and a... 

The current article presents conceptual, preliminary and detailed aero-thermal redesign of a typical high pressure turbine nozzle guide vane. Design targets are lower coolant consumption, reduced manufacturing costs and improved durability. These goals are sought by 25% reduction in vane count number and lower number of airfoils per segment. Design challenges such as higher airfoil loading, associate aerodynamic losses and higher thermal loads are discussed. In order to maximize coolant flow reduction and avoid higher aerodynamic losses, airfoil Mach distribution is carefully controlled. There has been an effort to limit design changes so that the proven design features of the original vane... 

This paper presents a state of the art design for the blade tip injection. The design includes the means, to inject high-pressure gas jet directly into a circumferential casing groove formed in the shroud adjacent to the blade tip. The casing groove is positioned over the blade tip and exceeds 30% of the blade axial chord beyond the impeller to both upstream and downstream directions. In order to validate the multi block model used in the tip gap region, main flow characteristics are verified with the experimental data for smooth casing with a design clearance of 0.5% span. Three arbitrary mass flow rates (1.75%, 2.45%, and 4.35% of choked mass flow) have been studied. The results indicate... 

Electronic structure calculations for two isofamilies, YBa 2Cu3O7 (YBCO) and YSr2Cu 3O7 (YSCO) high Tc cuprates, have been done for ambient and high pressures (-15 GPa