Material Parameters for Analytical and Numerical Modeling of Si and Strained SiGe Heterostructure Devices

2001 ◽  
Vol 677 ◽  
Author(s):  
S. C. Jain ◽  
A. Mehra ◽  
S. Decoutere ◽  
W. Schoenmaker ◽  
M. Willander
Keyword(s):  
Boron Concentration ◽  
Material Parameters ◽  
Effective Masses ◽  
Device Processing ◽  
Computer Codes ◽  
And Performance ◽  
Experimental Values ◽  
Heterostructure Devices ◽  
Good Agreement ◽  
Strained Sige

ABSTRACTWe present calculated values of effective masses, bandgap reduction, and Fermi energy of p-doped Si and strained p-doped SiGe layers. The calculations have been made for Ge concentrations in the range 0 to 30% and boron concentration in the range 1018 cm−3 to 3×1020 cm−3. Empirical expressions for the effective masses are given. These expressions and calculated values of the other parameters are convenient for use in computer codes for modeling device processing and performance. To validate the calculated values, we have compared them with the available experimental results. Good agreement between the calculated and the experimental values is found.

Systematic calculations of energy levels and transitions rates in Mo XXVIII

2020 ◽  
Vol 75 (8) ◽  
pp. 739-747
Author(s):  
Feng Hu ◽  
Yan Sun ◽  
Maofei Mei
Keyword(s):  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Data Sets ◽  
Electron Systems ◽  
Excitation Energies ◽  
Experimental Values ◽  
Qed Effects ◽  
Hyperfine Structures ◽  
Good Agreement

AbstractComplete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors and E1, E2, M1, and M2 line strengths, oscillator strengths, transitions rates are reported for the low-lying 41 levels of Mo XXVIII, belonging to the n = 3 states (1s22s22p6)3s23p3, 3s3p4, and 3s23p23d. High-accuracy calculations have been performed as benchmarks in the request for accurate treatments of relativity, electron correlation, and quantum electrodynamic (QED) effects in multi-valence-electron systems. Comparisons are made between the present two data sets, as well as with the experimental results and the experimentally compiled energy values of the National Institute for Standards and Technology wherever available. The calculated values including core-valence correction are found to be in a good agreement with other theoretical and experimental values. The present results are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing plasmas.

scholarly journals DFT calculation and assignment of vibrational spectra of aryl and alkyl chlorophosphates

2014 ◽  
Vol 12 (2) ◽  
pp. 153-163
Author(s):  
Viktor Anishchenko ◽  
Vladimir Rybachenko ◽  
Konstantin Chotiy ◽  
Andrey Redko
Keyword(s):  
Vibrational Spectra ◽  
Basis Sets ◽  
Heavy Atoms ◽  
Wide Range ◽  
Complete Assignment ◽  
Key Factor ◽  
Polarization Functions ◽  
Experimental Values ◽  
Semi Empirical ◽  
Good Agreement

AbstractDFT calculations of vibrational spectra of chlorophosphates using wide range of basis sets and hybrid functionals were performed. Good agreement between calculated and experimental vibrational spectra was reached by the combination of non-empirical functional PBE0 with both middle and large basis sets. The frequencies of the stretching vibrations of the phosphate group calculated using semi-empirical functional B3LYP for all basis sets deviate significantly from the experimental values. The number of polarization functions on heavy atoms was shown to be a key factor for the calculation of vibrational frequencies of organophosphates. The importance of consideration of all the stable rotamers for a complete assignment of fundamental modes was shown.

scholarly journals Novel Hexagonal Dual-Mode Substrate Integrated Waveguide Filter with Source-Load Coupling

2014 ◽  
Vol 2014 ◽  
pp. 1-5
Author(s):  
Ziqiang Xu ◽  
Gen Zhang ◽  
Hong Xia ◽  
Meijuan Xu
Keyword(s):  
Center Frequency ◽  
Substrate Integrated Waveguide ◽  
Fractional Bandwidth ◽  
Dual Mode ◽  
Transmission Zeros ◽  
Cavity Structure ◽  
Waveguide Filter ◽  
And Performance ◽  
Single Cavity ◽  
Good Agreement

Hexagonal dual-mode cavity and its application to substrate integrated waveguide (SIW) filter are presented. The hexagonal SIW resonator which can combine flexibility of rectangular cavity and performance of circular cavity is convenient for dual-mode bandpass filters design. By introducing coupling between source and load, the filter not only has good selectivity due to two controllable transmission zeros, but also has a small size by the virtue of its single-cavity structure. A demonstration filter with a center frequency of 10 GHz and a 3 dB fractional bandwidth of 4% is designed and fabricated to validate the proposed structure. Measured results are in good agreement with simulated ones.

Heat Transfer Committee and Turbomachinery Committee Best Paper of 1996 Award: The Path to Predicting Bypass Transition

1997 ◽  
Vol 119 (3) ◽  
pp. 405-411 ◽  
Author(s):  
R. E. Mayle ◽  
A. Schulz
Keyword(s):  
Boundary Layer ◽  
Kinetic Energy ◽  
Energy Equation ◽  
Free Stream ◽  
Bypass Transition ◽  
Turbulence Level ◽  
Free Stream Turbulence ◽  
Energy Profiles ◽  
Computer Codes ◽  
Good Agreement

A theory is presented for calculating the fluctuations in a laminar boundary layer when the free stream is turbulent. The kinetic energy equation for these fluctuations is derived and a new mechanism is revealed for their production. A methodology is presented for solving the equation using standard boundary layer computer codes. Solutions of the equation show that the fluctuations grow at first almost linearly with distance and then more slowly as viscous dissipation becomes important. Comparisons of calculated growth rates and kinetic energy profiles with data show good agreement. In addition, a hypothesis is advanced for the effective forcing frequency and free-stream turbulence level that produce these fluctuations. Finally, a method to calculate the onset of transition is examined and the results compared to data.

scholarly journals Structural elastic and thermal properties of SrxCd1−x O mixed compounds — a theoretical approach

2014 ◽  
Vol 32 (3) ◽  
pp. 350-357
Author(s):  
Purvee Bhardwaj
Keyword(s):  
Phase Transition ◽  
Vibrational Energy ◽  
Zero Point ◽  
Study Phase ◽  
Energy Effect ◽  
Phase Transition Pressure ◽  
Vegard’S Law ◽  
Extended Interaction ◽  
Experimental Values ◽  
Good Agreement

AbstractIn the present paper, the structural and mechanical properties of alkaline earth oxides mixed compound SrxCd1−x O (0 ≤ x ≤ 1) under high pressure have been reported. An extended interaction potential (EIP) model, including the zero point vibrational energy effect, has been developed for this study. Phase transition pressures are associated with a sudden collapse in volume. Phase transition pressure and associated volume collapses [ΔV (Pt)/V(0)] calculated from this approach are in good agreement with the experimental values for the parent compounds (x = 0 and x = 1). The results for the mixed crystal counterparts are also in fair agreement with experimental data generated from the application of Vegard’s law to the data for the parent compounds.

The Thermodynamics Calculation of Mg-Zn Alloy

2007 ◽  
Vol 546-549 ◽  
pp. 447-450
Author(s):  
Tian Mo Liu ◽  
Hong Yi Zhou ◽  
Fu Sheng Pan
Keyword(s):  
Excess Entropy ◽  
Formation Enthalpy ◽  
Miedema Model ◽  
Activity Curve ◽  
Calculation Results ◽  
Experimental Values ◽  
Zn Alloy ◽  
Zn Alloys ◽  
Good Agreement

In the present work Miedema model has been developed, and the formation enthalpy of Mg-Zn alloys and the activity curve of Zn in Mg-Zn alloy at 1000K have been calculated according to the Miedema model. The calculation results showed that the formation enthalpy of Mg-Zn was small, and the excess entropy attributes a lot to the result. When excess enthopy was considered, the calculation results were found to be in good agreement with the experimental values.

scholarly journals Quantitative Assessment of the Influence of Tensile Softening of Concrete in Beams under Bending by Numerical Simulations with XFEM and Cohesive Cracks

Materials ◽  
2022 ◽  
Vol 15 (2) ◽  
pp. 626
Author(s):  
Ireneusz Marzec ◽  
Jerzy Bobiński
Keyword(s):  
Experimental Data ◽  
Numerical Simulations ◽  
Extended Finite Element ◽  
Three Point Bending ◽  
Material Parameters ◽  
Error Measures ◽  
Rational Bézier Curve ◽  
Initial Fracture ◽  
Experimental Values ◽  
Tensile Softening

Results of the numerical simulations of the size effect phenomenon for concrete in comparison with experimental data are presented. In-plane geometrically similar notched and unnotched beams under three-point bending are analyzed. EXtended Finite Element Method (XFEM) with a cohesive softening law is used. Comprehensive parametric study with the respect to the tensile strength and the initial fracture energy is performed. Sensitivity of the results with respect to the material parameters and the specimen geometry is investigated. Three different softening laws are examined. First, a bilinear softening definition is utilized. Then, an exponential curve is taken. Finally, a rational Bezier curve is tested. An ambiguity in choosing material parameters and softening curve definitions is discussed. Numerical results are compared with experimental outcomes recently reported in the literature. Two error measures are defined and used to quantitatively assess calculated maximum forces (nominal strengths) in comparison with experimental values as a primary criterion. In addition, the force—displacement curves are also analyzed. It is shown that all softening curves produce results consistent with the experimental data. Moreover, with different softening laws assumed, different initial fracture energies should be taken to obtain proper results.

scholarly journals Design of steering system of a buggy

2020 ◽  
Vol 327 ◽  
pp. 03004
Author(s):  
D. Santana Sanchez ◽  
A. Mostafa
Keyword(s):  
Carrying Capacity ◽  
Steering System ◽  
Nonlinear Finite Element ◽  
Load Carrying Capacity ◽  
Dynamic Effects ◽  
Flexural Behaviour ◽  
Steering Angle ◽  
Load Carrying ◽  
And Performance ◽  
Good Agreement

The present paper discusses the design analysis and limitations of the steering system of a buggy. Many geometrical and performance characteristics of the designed steering system were considered to address the kinematic constraints and load carrying capacity of the steering elements. Ackremann geometry approach was used to assess the limiting steering angle, while Lewis bending formula with the inclusion of dynamic effects was employed to characterise the flexural properties of the rack and pinion steering system. Analytical results were numerically verified using ABAQUS/Explicit nonlinear finite element (FE) package. Good agreement has been achieved between analytical and numerical results in predicting the flexural behaviour of the steering rack and pinion system.

scholarly journals Design analysis of four-wave-mixing in SiN nanowires integrated with graphene oxide films

2020 ◽  
Author(s):  
David Moss
Keyword(s):  
Graphene Oxide ◽  
Kerr Nonlinearity ◽  
Four Wave Mixing ◽  
Wave Mixing ◽  
Trade Off ◽  
Material Parameters ◽  
Highly Nonlinear ◽  
Thermal Changes ◽  
Strong Mode ◽  
Good Agreement

<p>We theoretically investigate and optimize four-wave mixing (FWM) in silicon nitride (SiN) waveguides integrated with two-dimensional (2D) layered graphene oxide (GO) films. Based on extensive previous measurements of the material parameters of the GO films, we perform detailed analysis for the influence of device parameters including waveguide geometry, GO film thickness, length, and coating position on the FWM conversion efficiency (CE) and conversion bandwidth (CB). The influence of dispersion and photo-thermal changes in the GO films is also discussed. Owing to the strong mode overlap between the SiN waveguides and the highly nonlinear GO films, FWM in the hybrid waveguides can be significantly enhanced. We obtain good agreement with previous experimental results and show that by optimizing the device parameters to balance the trade-off between Kerr nonlinearity and loss, the FWM CE can be improved by as much as ~20.7 dB and the FWM CB can be increased by ~4.4 folds, relative to the uncoated waveguides. These results highlight the significantly enhanced FWM performance that can be achieved in SiN waveguides by integrating 2D layered GO films.<i></i></p>

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