This document summarizes research on the structure and phase behavior of Cu-Ni nanoalloys. It uses thermodynamic modeling to predict how the phase diagrams and mixing/demixing behavior depend on nanoparticle size, shape, and temperature. The modeling indicates Cu-Ni nanoalloys can form either mixed particles or Janus particles, depending on the synthesis temperature, with nickel preferentially segregating to surfaces. Phase maps are provided to guide experimentalists on controlling particle structure.
Natural Convection and Entropy Generation in Γ-Shaped Enclosure Using Lattice...A Behzadmehr
This work presents a numerical analysis of entropy generation in Γ-Shaped enclosure that was submitted to the natural convection process using a simple thermal lattice Boltzmann method (TLBM) with the Boussinesq approximation. A 2D thermal lattice Boltzmann method with 9 velocities, D2Q9, is used to solve the thermal flow problem. The simulations are performed at a constant Prandtl number (Pr = 0.71) and Rayleigh numbers ranging from 103 to 106 at the macroscopic scale (Kn = 10-4). In every case, an appropriate value of the characteristic velocity is chosen using a simple model based on the kinetic theory. By considering the obtained dimensionless velocity and temperature values, the distributions of entropy generation due to heat transfer and fluid friction are determined. It is found that for an enclosure with high value of Rayleigh number (i.e., Ra=105), the total entropy generation due to fluid friction and total Nu number increases with decreasing the aspect ratio.
Natural Convection and Entropy Generation in Γ-Shaped Enclosure Using Lattice...A Behzadmehr
This work presents a numerical analysis of entropy generation in Γ-Shaped enclosure that was submitted to the natural convection process using a simple thermal lattice Boltzmann method (TLBM) with the Boussinesq approximation. A 2D thermal lattice Boltzmann method with 9 velocities, D2Q9, is used to solve the thermal flow problem. The simulations are performed at a constant Prandtl number (Pr = 0.71) and Rayleigh numbers ranging from 103 to 106 at the macroscopic scale (Kn = 10-4). In every case, an appropriate value of the characteristic velocity is chosen using a simple model based on the kinetic theory. By considering the obtained dimensionless velocity and temperature values, the distributions of entropy generation due to heat transfer and fluid friction are determined. It is found that for an enclosure with high value of Rayleigh number (i.e., Ra=105), the total entropy generation due to fluid friction and total Nu number increases with decreasing the aspect ratio.
ANALYSIS OF POSSIBILITY OF GROWTH OF SEVERAL EPITAXIAL LAYERS SIMULTANEOUSLY ...ijoejournal
We analyzed nonlinear model with varying in space and time coefficients of growth of epitaxial layers
from gas phase in a vertical reactor with account native convection. We formulate several conditions to
increase homogeneity of epitaxial layers with varying of technological process parameters.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
An Efficient Algorithm for Contact Angle Estimation in Molecular Dynamics Sim...CSCJournals
It is important to find contact angle for a liquid to understand its wetting properties, capillarity and surface interaction energy with a surface. The estimation of contact angle from Non Equilibrium Molecular Dynamics (NEMD), where we need to track the changes in contact angle over a period of time is challenging compared to the estimation from a single image from an experimental measurement. Often such molecular simulations involve finite number of molecules above some metallic or non-metallic substrates and coupled to a thermostat. The identification of profile of the droplet formed during this time will be difficult and computationally expensive to process as an image. In this paper a new algorithm is explained which can efficiently calculate time dependent contact angle from a NEMD simulation just by processing the molecular coordinates. The algorithm implements many simple yet accurate mathematical methods available, especially to remove the vapor molecules and noise data and thereby calculating the contact angle with more accuracy. To further demonstrate the capability of the algorithm a simulation study has been reported which compares the contact angle influence with different thermostats in the Molecular Dynamics (MD) simulation of water over platinum surface.
Residence time distribution studies in flow through tubular electrochemical r...IJERD Editor
International Journal of Engineering Research and Development is an international premier peer reviewed open access engineering and technology journal promoting the discovery, innovation, advancement and dissemination of basic and transitional knowledge in engineering, technology and related disciplines.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
FREE CONVECTION HEAT TRANSFER OF NANOFLUIDS FROM A HORIZONTAL PLATE EMBEDDED ...AEIJjournal2
In this paper the natural convection heat transfer from a horizontal plate embedded in a porous medium
saturated with a nanofluid is numerically analyzed. By a similarity approach the partial differential
equations are reduced to a set of two ordinary differential equations. In order to evaluate the influence of
nanoparticles on the heat transfer, Ag and Cuo as the nanoparticles were selected. Results show that heat
transfer rate (Nur) is a decreasing function of volume fraction of nanoparticles.
ANALYSIS OF POSSIBILITY OF GROWTH OF SEVERAL EPITAXIAL LAYERS SIMULTANEOUSLY ...ijoejournal
We analyzed nonlinear model with varying in space and time coefficients of growth of epitaxial layers
from gas phase in a vertical reactor with account native convection. We formulate several conditions to
increase homogeneity of epitaxial layers with varying of technological process parameters.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
An Efficient Algorithm for Contact Angle Estimation in Molecular Dynamics Sim...CSCJournals
It is important to find contact angle for a liquid to understand its wetting properties, capillarity and surface interaction energy with a surface. The estimation of contact angle from Non Equilibrium Molecular Dynamics (NEMD), where we need to track the changes in contact angle over a period of time is challenging compared to the estimation from a single image from an experimental measurement. Often such molecular simulations involve finite number of molecules above some metallic or non-metallic substrates and coupled to a thermostat. The identification of profile of the droplet formed during this time will be difficult and computationally expensive to process as an image. In this paper a new algorithm is explained which can efficiently calculate time dependent contact angle from a NEMD simulation just by processing the molecular coordinates. The algorithm implements many simple yet accurate mathematical methods available, especially to remove the vapor molecules and noise data and thereby calculating the contact angle with more accuracy. To further demonstrate the capability of the algorithm a simulation study has been reported which compares the contact angle influence with different thermostats in the Molecular Dynamics (MD) simulation of water over platinum surface.
Residence time distribution studies in flow through tubular electrochemical r...IJERD Editor
International Journal of Engineering Research and Development is an international premier peer reviewed open access engineering and technology journal promoting the discovery, innovation, advancement and dissemination of basic and transitional knowledge in engineering, technology and related disciplines.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
FREE CONVECTION HEAT TRANSFER OF NANOFLUIDS FROM A HORIZONTAL PLATE EMBEDDED ...AEIJjournal2
In this paper the natural convection heat transfer from a horizontal plate embedded in a porous medium
saturated with a nanofluid is numerically analyzed. By a similarity approach the partial differential
equations are reduced to a set of two ordinary differential equations. In order to evaluate the influence of
nanoparticles on the heat transfer, Ag and Cuo as the nanoparticles were selected. Results show that heat
transfer rate (Nur) is a decreasing function of volume fraction of nanoparticles.
EVALUATING STRUCTURAL, OPTICAL & ELECTRICAL CHARACTERIZATION OF ZINC CHALCOGE...Editor IJCATR
To evaluate the structural, optical & electrical properties of the zinc chalcogenides (ZnO, ZnS, ZnSe & ZnTe), the Full
Potential Linearized – Augumented Plane Wave plus Local Orbits (FP – LAPW+lo) method. For the purpose of exchange-correlation
energy (Exc) determination in Kohn–Sham calculation, the standard local density approximation (LDA) formalism has been utilized.
Murnaghan’s equation of state (EOS) has been used for volume optimization by minimizing the total energy with respect to the unit
cell volume. With the result of electronic density of states (DOS), the structural, optical and electrical properties of Zinc chalcogenides
have been calculated. The second derivative of energy, as a function of lattice strain has been successfully used to estimate the elastic
constants of these binary compounds. The results are in good agreement with other theoretical calculations as well as available
experimental data.
Heat Capacity of BN and GaN binary semiconductor under high Pressure-Temperat...IOSR Journals
In this paper, we have calculated the molar heat capacity for cubic zinc blende (cZB) BN and GaN binary semiconductors at high pressure-temperature (PT). For the calculation of heat capacity, we firstly obtained the Debye temperature (ϴD) variation with temperature and at higher temperature it becomes constant with temperature in quasi-harmonic approximation limits. We have also calculated the static Debye temperature (ϴD) from elastic constant for the both BN and GaN binary semiconductors. The elastic constants are calculated from the energy-strain relation using plane wave method in DFT approach. All the calculated results are well consistence with experimental and reported data
The Futures of the Physic-Chemical and Thermoelectric Properties of the InTe-...theijes
By the methods of the physic-chemical analysis as well the measurements of microhadness and picknomentric density the semiconducting system InTe-Cu2ZnSnS4 has been investigated and its state diagram has been plotted. Guazibinarity of the system with restricted homogeneous fields has established on the basis of both initial components. The boundaries of solid solutions at 300K reach on side of InTe ~ 2mol% and on side of Cu2ZnSnS4 ~ 13mol%. The coordinates of the system eutectic correspond to the composition ~23mol% Cu2ZnSnS4 and temperature ~813K. A study of thermoelectric and galvanomagnetic parameters of solid solutions (InTe)1-x(Cu2ZnSnS4)x showed dispersion of electrons from the ionized admixture at low temperatures, and at higher temperatures from thermal vibrations of crystalline lattice. Heat transfer takes place according to one-phonon mechanism. The alloy of solid solution (InTe)0,98(Cu2ZnSnS4)0,02 possesses a high value of thermoelectric efficiency.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
The electronic band parameters calculated by the Triangular potential model f...IOSR Journals
This work reports on theoretical investigation of superlattices based on Cd1-xZnxS quantum dots
embedded in an insulating material. This system, assumed to a series of flattened cylindrical quantum dots with
a finite barrier at the boundary, is studied using the triangular potential. The electronic states and the effective
mass of 1 Γ miniband have been computed as a function of inter-quantum dot separation for different zinc
compositions. Calculations have been made for electrons, heavy holes and light holes. Results are discussed and
compared with those of the Kronig-Penney and sinusoidal potentials