scholarly journals A New Mathematical Model for Cluster Calculation in Tetrahedrally Bonded Amorphous Semiconductors

1993 ◽  
Vol 16 (1) ◽  
pp. 49-53 ◽  
Author(s):  
M. A. Grado Caffaro ◽  
M. Grado Caffaro
Keyword(s):  
Mathematical Model ◽  
Amorphous Semiconductors ◽  
Sufficient Accuracy ◽  
Cluster Calculation ◽  
X Rays ◽  
Electronic Density ◽  
Valence States ◽  
Hückel Theory ◽  
Theoretical Results ◽  
Good Agreement

Tetrahedraily bonded amorphous semiconductors exhibit a structure suitable for applying the so-called extended Hückel theory (EHT) to determine the electronic density of states by means of the cluster calculation. In the following, a new mathematical model based on EHT is established. The results obtained from this model have sufficient accuracy for applications and provide a useful methodology that combines adequately with the spectrum computations. Density of valence states has been obtained experimentally with monochromatized X-rays and the theoretical results obtained in this paper are in good agreement with these experiments.

First-Principles Calculation of Elastic Constants for FeP

2013 ◽  
Vol 321-324 ◽  
pp. 1761-1765 ◽  
Author(s):  
Jian Ying Li ◽  
Jing Zhang ◽  
Qi Zhi Cao ◽  
Yi Fang Ouyang
Keyword(s):  
Elastic Constants ◽  
Density Functional ◽  
Formation Enthalpy ◽  
Density Functional Theory Method ◽  
First Principles Calculation ◽  
Electronic Density ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Theoretical Results ◽  
Good Agreement

The elastic constants of FeP with orthorhombic structure were calculated by using the density-functional theory method. The formation enthalpy, electronic density of states, bulk modulus, and lattice parameters of orthorhombic FeP were also calculated. All of the results are in good agreement with the experimental data and theoretical results available. The results indicate that orthorhombic FeP intermetallic compound is brittleness.

Theoretical Studies of the Spin Hamiltonian Parameters for Fe0 and Mn– in Silicon Center

2013 ◽  
Vol 634-638 ◽  
pp. 2518-2522
Author(s):  
Min Quan Kuang ◽  
Shao Yi Wu ◽  
Bo Tao Song ◽  
Xian Fen Hu
Keyword(s):  
Experimental Data ◽  
Hyperfine Structure ◽  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Cluster Approach ◽  
Valence States ◽  
Structure Constants ◽  
Hamiltonian Parameters ◽  
Theoretical Results ◽  
Good Agreement

The spin Hamiltonian parameters (g factors and the hyperfine structure constants) for the octahedral interstitial Fe0and Mn in silicon are theoretically investigated using the perturbation formulas of these parameters for a 3d8ion under octahedral environments based on the cluster approach. The theoretical results show good agreement with the experimental data, and the ligand contributions should be considered due to the strong covalency of the systems. The interstitial occupation of the above novel 3d8impurities of rare valence states in silicon is discussed.

scholarly journals On Cluster Calculation for Amorphous Tetrahedrally Bonded Semiconductors

1997 ◽  
Vol 20 (1) ◽  
pp. 1-5
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro
Keyword(s):  
Electronic Spectra ◽  
Amorphous Semiconductors ◽  
The Other ◽  
Cluster Calculation ◽  
Other Hand ◽  
Valence States ◽  
Theoretical Considerations ◽  
Operational Methods ◽  
Tetrahedrally Bonded

This article consists of an approach to the calculation of the density of valence states in tetrahedrally bonded amorphous semiconductors and, on the other hand, the paper contains theoretical considerations on electronic spectra related to the results obtained by the authors concerning cluster calculation. The exposition is centered on III–V compounds. Moreover, operational methods are used to perform certain computations related to the previous subjects.

Investigating the Nonlinear Optical Response of Pepper Oil under Low Power Irradiation with Continuous Wave Visible Laser Beam

2020 ◽  
pp. 131-138
Keyword(s):  
Refractive Index ◽  
Nonlinear Refractive Index ◽  
Nonlinear Optical ◽  
Continuous Wave ◽  
Diffraction Integral ◽  
Visible Laser ◽  
Limiting Property ◽  
Kirchhoff Diffraction Integral ◽  
Theoretical Results ◽  
Good Agreement

The nonlinear optical properties of pepper oil are studied by diffraction ring patterns and Z-scan techniques with continuous wave beam from solid state laser at 473 nm wavelength. The nonlinear refractive index of the sample is calculated by both techniques. The sample show high nonlinear refractive index. Based on Fresnel-Kirchhoff diffraction integral, the far-field intensity distributions of ring patterns have been calculated. It is found that the experimental results are in good agreement with the theoretical results. Also the optical limiting property of pepper oil is reported. The results obtained in this study prove that the pepper oil has applications in nonlinear optical devices.

scholarly journals On the optimal control of coronavirus (2019-nCov) mathematical model; a numerical approach

2020 ◽  
Vol 2020 (1) ◽  
Author(s):  
N. H. Sweilam ◽  
S. M. Al-Mekhlafi ◽  
A. O. Albalawi ◽  
D. Baleanu
Keyword(s):  
Mathematical Model ◽  
Optimal Control ◽  
Weighted Average ◽  
Necessary Optimality Conditions ◽  
Numerical Approach ◽  
Population Number ◽  
Infected People ◽  
The Stability ◽  
Novel Coronavirus ◽  
Theoretical Results

Abstract In this paper, a novel coronavirus (2019-nCov) mathematical model with modified parameters is presented. This model consists of six nonlinear fractional order differential equations. Optimal control of the suggested model is the main objective of this work. Two control variables are presented in this model to minimize the population number of infected and asymptotically infected people. Necessary optimality conditions are derived. The Grünwald–Letnikov nonstandard weighted average finite difference method is constructed for simulating the proposed optimal control system. The stability of the proposed method is proved. In order to validate the theoretical results, numerical simulations and comparative studies are given.

Studies of local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) crystals

2021 ◽  
Vol 76 (4) ◽  
pp. 299-304
Author(s):  
Fu Chen ◽  
Jian-Rong Yang ◽  
Zi-Fa Zhou
Keyword(s):  
Crystal Field ◽  
Elongation Ratio ◽  
Paramagnetic Resonance ◽  
Local Structures ◽  
Epr Parameters ◽  
Structure Constants ◽  
Crystal Field Parameters ◽  
Electron Paramagnetic ◽  
Theoretical Results ◽  
Good Agreement

Abstract The electron paramagnetic resonance (EPR) parameters (g factor g i , and hyperfine structure constants A i , with i = x, y, z) and local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) are theoretically investigated using the high order perturbation formulas of these EPR parameters for a 3d 9 ion under orthorhombically elongated octahedra. In the calculations, contribution to these EPR parameters due to the admixture of d-orbitals in the ground state wave function of the Cu2+ ion are taken into account based on the cluster approach, and the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the studied EPR parameters with the local structures of the Cu2+ centers. Based on the calculations, the Cu–H2O bonds are found to suffer the axial elongation ratio δ of about 3 and 2.9% along the z-axis, meanwhile, the planar bond lengths may experience variation ratio τ (≈3.8 and 1%) along x- and y-axis for Cu2+ center in (NH4)2Zn(SO4)2·6H2O and Rb2Zn(SO4)2·6H2O, respectively. The theoretical results show good agreement with the observed values.

On the Flow Fields of Inertial Impactors

1974 ◽  
Vol 96 (4) ◽  
pp. 394-400 ◽  
Author(s):  
V. A. Marple ◽  
B. Y. H. Liu ◽  
K. T. Whitby
Keyword(s):  
Flow Field ◽  
Stokes Equations ◽  
Relaxation Method ◽  
Water Model ◽  
Navier Stokes ◽  
Visualization Technique ◽  
Navier Stokes Equations ◽  
Theoretical Results ◽  
Plate Distance ◽  
Good Agreement

The flow field in an inertial impactor was studied experimentally with a water model by means of a flow visualization technique. The influence of such parameters as Reynolds number and jet-to-plate distance on the flow field was determined. The Navier-Stokes equations describing the laminar flow field in the impactor were solved numerically by means of a finite difference relaxation method. The theoretical results were found to be in good agreement with the empirical observations made with the water model.

Explanation of the Influence of Inflow Air Content on the Lift of Cavitating Hydrofoils

2018 ◽  
Vol 140 (8) ◽  
Author(s):  
Eduard Amromin
Keyword(s):  
Experimental Data ◽  
Theoretical Study ◽  
Lift Coefficient ◽  
Cavity Surface ◽  
Air Bubbles ◽  
Incoming Flow ◽  
Fluid Density ◽  
Air Content ◽  
Theoretical Results ◽  
Good Agreement

According to several known experiments, an increase of the incoming flow air content can increase the hydrofoil lift coefficient. The presented theoretical study shows that such increase is associated with the decrease of the fluid density at the cavity surface. This decrease is caused by entrainment of air bubbles to the cavity from the surrounding flow. The theoretical results based on such explanation are in a good agreement with the earlier published experimental data for NACA0015.

Models for New Corrugated and Porous Solar Air Collectors under Transient Operation

2017 ◽  
Vol 42 (1) ◽  
Author(s):  
Qahtan Adnan Abed ◽  
Viorel Badescu ◽  
Adrian Ciocanea ◽  
Iuliana Soriga ◽  
Dorin Bureţea
Keyword(s):  
Climatic Conditions ◽  
Meteorological Conditions ◽  
Bias Error ◽  
First Order ◽  
Solar Air Collector ◽  
Section Surface ◽  
South Eastern Europe ◽  
Main Components ◽  
Theoretical Results ◽  
Good Agreement

AbstractMathematical models have been developed to evaluate the dynamic behavior of two solar air collectors: the first one is equipped with a V-porous absorber and the second one with a U-corrugated absorber. The collectors have the same geometry, cross-section surface area and are built from the same materials, the only difference between them being the absorbers. V-corrugated absorbers have been treated in literature but the V-porous absorbers modeled here have not been very often considered. The models are based on first-order differential equations which describe the heat exchange between the main components of the two types of solar air heaters. Both collectors were exposed to the sun in the same meteorological conditions, at identical tilt angle and they operated at the same air mass flow rate. The tests were carried out in the climatic conditions of Bucharest (Romania, South Eastern Europe). There is good agreement between the theoretical results and experiments. The average bias error was about 7.75 % and 10.55 % for the solar air collector with “V”-porous absorber and with “U”-corrugated absorber, respectively. The collector based on V-porous absorber has higher efficiency than the collector with U-corrugated absorber around the noon of clear days. Around sunrise and sunset, the collector with U-corrugated absorber is more effective.

Cancelling of Self-Excited Vibrations by Means of Parametric Excitation

1999 ◽  
Author(s):  
Aleš Tondl ◽  
Horst Ecker
Keyword(s):  
Numerical Simulation ◽  
Harmonic Function ◽  
Parametric Excitation ◽  
Exciting Force ◽  
Mass System ◽  
Parameter Variations ◽  
Simulation Parameter ◽  
Top Mass ◽  
Theoretical Results ◽  
Good Agreement

Abstract The possibility of cancelling self-excited vibrations of a mechanical system using parametric excitation is discussed. A two-mass system is considered, with the top mass excited by a flow-generated self-exciting force. The parameter of the connecting stiffness between the base mass and the foundation is a harmonic function of time and represents a parametric excitation. For such a system general conditions for full vibration cancelling are derived and presented. By means of numerical simulation the system is investigated for several sets of parameters. The theoretical results are found to be in very good agreement with the results obtained by simulation. Parameter variations show the extent of the parameter space where significant vibration cancelling can be achieved and illustrate possible applications.

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