scholarly journals Simplex Algorithm for Band Structure Calculation of Noncubic Symmetry Semiconductors: Application to III-nitride Binaries and Alloys

VLSI Design ◽  
2001 ◽  
Vol 13 (1-4) ◽  
pp. 63-68 ◽  
Author(s):  
Enrico Ghillino ◽  
Carlo Garetto ◽  
Michele Goano ◽  
Giovanni Ghione ◽  
Enrico Bellotti ◽  
...  
Keyword(s):  
Band Structure ◽  
Simplex Algorithm ◽  
Initial Guess ◽  
Phase Iii ◽  
Band Structure Calculation ◽  
Wurtzite Phase ◽  
Empirical Pseudopotential Method ◽  
Zinc Blende

A set of software tools for the determination of the band structure of zinc-blende, wurtzite, 4H, and 6H semiconductors is presented. A state of the art implementation of the nonlocal empirical pseudopotential method has been coupled with a robust simplex algorithm for the optimization of the adjustable parameters of the model potentials. This computational core has been integrated with an array of Matlab functions, providing interactive functionalities for defining the initial guess of the atomic pseudopotentials, checking the convergence of the optimization process, plotting the resulting band structure, and computing detailed information about any local minimum. The results obtained for wurtzite-phase III-nitrides (ALN, GaN, InN) are presented as a relevant case study.

A novel method for the determination of linting propensity of paper

TAPPI Journal ◽  
2012 ◽  
Vol 11 (10) ◽  
pp. 9-17
Author(s):  
ALESSANDRA GERLI ◽  
LEENDERT C. EIGENBROOD
Keyword(s):  
Ash Content ◽  
The Novel ◽  
Offset Printing ◽  
Excellent Correlation ◽  
End Conditions ◽  
Bottom Side ◽  
Novel Method ◽  
Total Fraction

A novel method was developed for the determination of linting propensity of paper based on printing with an IGT printability tester and image analysis of the printed strips. On average, the total fraction of the surface removed as lint during printing is 0.01%-0.1%. This value is lower than those reported in most laboratory printing tests, and more representative of commercial offset printing applications. Newsprint paper produced on a roll/blade former machine was evaluated for linting propensity using the novel method and also printed on a commercial coldset offset press. Laboratory and commercial printing results matched well, showing that linting was higher for the bottom side of paper than for the top side, and that linting could be reduced on both sides by application of a dry-strength additive. In a second case study, varying wet-end conditions were used on a hybrid former machine to produce four paper reels, with the goal of matching the low linting propensity of the paper produced on a machine with gap former configuration. We found that the retention program, by improving fiber fines retention, substantially reduced the linting propensity of the paper produced on the hybrid former machine. The papers were also printed on a commercial coldset offset press. An excellent correlation was found between the total lint area removed from the bottom side of the paper samples during laboratory printing and lint collected on halftone areas of the first upper printing unit after 45000 copies. Finally, the method was applied to determine the linting propensity of highly filled supercalendered paper produced on a hybrid former machine. In this case, the linting propensity of the bottom side of paper correlated with its ash content.

EXCITON INSULATOR STATES IN MATERIALS WITH ‘MEXICAN HAT’ BAND STRUCTURE DISPERSION AND IN GRAPHENE

2015 ◽  
Vol 11 (1) ◽  
pp. 2927-2949
Author(s):  
Lyubov E. Lokot
Keyword(s):  
Band Structure ◽  
Three Dimensional ◽  
Dimensional Sphere ◽  
Electron Hole ◽  
Dinger Equation ◽  
Fermi Sphere ◽  
Zinc Blende ◽  
Bulk Gan ◽  
Structure Dispersion ◽  
Excitonic States

In the paper a theoretical study the both the quantized energies of excitonic states and their wave functions in grapheneand in materials with "Mexican hat" band structure dispersion as well as in zinc-blende GaN is presented. An integral twodimensionalSchrödinger equation of the electron-hole pairing for a particles with electron-hole symmetry of reflection isexactly solved. The solutions of Schrödinger equation in momentum space in studied materials by projection the twodimensionalspace of momentum on the three-dimensional sphere are found exactly. We analytically solve an integral twodimensionalSchrödinger equation of the electron-hole pairing for particles with electron-hole symmetry of reflection. Instudied materials the electron-hole pairing leads to the exciton insulator states. Quantized spectral series and lightabsorption rates of the excitonic states which distribute in valence cone are found exactly. If the electron and hole areseparated, their energy is higher than if they are paired. The particle-hole symmetry of Dirac equation of layered materialsallows perfect pairing between electron Fermi sphere and hole Fermi sphere in the valence cone and conduction cone andhence driving the Cooper instability. The solutions of Coulomb problem of electron-hole pair does not depend from a widthof band gap of graphene. It means the absolute compliance with the cyclic geometry of diagrams at justification of theequation of motion for a microscopic dipole of graphene where >1 s r . The absorption spectrums for the zinc-blendeGaN/(Al,Ga)N quantum well as well as for the zinc-blende bulk GaN are presented. Comparison with availableexperimental data shows good agreement.

The Calculation of Turbulent Diffusion Coefficients in Aquatic Ecosystems

2019 ◽  
Vol 70 (11) ◽  
pp. 3903-3907
Author(s):  
Galina Marusic ◽  
Valeriu Panaitescu
Keyword(s):  
Transport Equation ◽  
Turbulent Diffusion ◽  
Diffusion Coefficients ◽  
Aquatic Ecosystems ◽  
Specific Area ◽  
Left Bank ◽  
The Right ◽  
Prut River

The paper deals with the issues related to the pollution of aquatic ecosystems. The influence of turbulence on the transport and dispersion of pollutants in the mentioned systems, as well as the calculation of the turbulent diffusion coefficients are studied. A case study on the determination of turbulent diffusion coefficients for some sectors of the Prut River is presented. A new method is proposed for the determination of the turbulent diffusion coefficients in the pollutant transport equation for specific sectors of a river, according to the associated number of P�clet, calculated for each specific area: the left bank, the right bank and the middle of the river.

scholarly journals Investigations on historical monuments’ deterioration through chemical and isotopic analyses: an Italian case study

2021 ◽  
Author(s):  
Maria Ricciardi ◽  
Concetta Pironti ◽  
Oriana Motta ◽  
Rosa Fiorillo ◽  
Federica Camin ◽  
...  
Keyword(s):  
Potassium Nitrate ◽  
Sewage Water ◽  
X Ray Diffraction ◽  
Italian Case ◽  
Historical Monuments ◽  
Isotopic Analyses ◽  
Historic Centre ◽  
The Church

AbstractIn this paper, we analysed the efflorescences present in the frescos of a monumental complex named S. Pietro a Corte situated in the historic centre of Salerno (Campania, Italy). The groundwater of the historic centre is fed by two important streams (the Rafastia and the Fusandola) that can be the sources of water penetration. The aims of this work are to (i) identify the stream that reaches the ancient frigidarium of S. Pietro a Corte and (ii) characterize the efflorescences on damaged frescos in terms of chemical nature and sources. In order to accomplish the first aim, the water of the Rafastia river (7 samples) and the water of the Fusandola river (7 samples) were analysed and compared with the water of a well of the Church (7 samples). The ionic chromatography measurements on the water samples allowed us to identify the Rafastia as the river that feeds the ancient frigidarium of S. Pietro a Corte. To investigate the nature and the origin of the efflorescences (our second aim), anionic chromatography analyses, X-ray diffraction measurements, and the isotopic determination of nitrogen were performed on the efflorescences (9 samples) and the salts recovered from the well (6 samples). Results of these analyses show that efflorescences are mainly made of potassium nitrate with a δ15N value of + 9.3 ± 0.2‰. Consequently, a plausible explanation for their formation could be the permeation of sewage water on the walls of the monumental complex.

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