Influence of Vacancies on Optical Properties of Sic Nanocrystallites

1999 ◽  
Vol 579 ◽  
Author(s):  
K.J. Plucinski ◽  
I.V. Kityk ◽  
A. Kassiba ◽  
C. Charpentier
Keyword(s):  
Experimental Data ◽  
Optical Properties ◽  
Experimental Methods ◽  
The Other ◽  
Experimental Investigations ◽  
Dynamic Boundary Conditions ◽  
Band Energy ◽  
Grain Sizes ◽  
Dynamics Simulations ◽  
Theoretical Simulations

ABSTRACTTo investigate the origin of vacancies in SiC nanopowders, complex theoretical and experimental investigations of SiC nanopowders of different geometry sizes were carried out. Our theoretical approach included ab initio band energy calculations and molecular dynamics simulations with dynamic boundary conditions. Experimental methods included EPR spectra. The significant influence of nanocrystallite and grain sizes on the concentration and type of vacancies is demonstrated. On the other hand, our comparison of experimental data and theoretical simulations show that vacancies influence the optical properties of SiC nanocrystallites.

Experimental Methodologies: Two Case Studies Investigating the Syntax- Discourse Interface

2013 ◽  
Vol 6 (1) ◽  
Author(s):  
Timothy Gupton ◽  
Tania Leal Méndez
Keyword(s):  
Experimental Data ◽  
Quantitative Data ◽  
Native Speaker ◽  
Experimental Methods ◽  
Experimental Investigations ◽  
Experimenter Bias ◽  
Current Article ◽  
Theoretical Syntax ◽  
Discourse Interface ◽  
L1 And L2

AbstractThe current article examines two experimental investigations of the syntaxdiscourse interface, which address theoretical questions in different ways: the first is an L1 investigation of Galician speakers in Gupton (2010) and the second is a dual investigation of L1 and L2 Spanish reported on in Leal Méndez & Slabakova (2011). These investigations gathered quantitative data via psycholinguistic tasks with accompanying audio utilizing the WebSurveyor platform. They involved counterbalanced designs and were followed by statistical analysis. While acknowledging that experimental data does not have primacy over intuitive data, the authors endorse the use of experimental methods of data elicitation (such as the ones already used in generative SLA research) in theoretical syntax in order to avoid experimenter bias and to get a more complete picture of native speaker intuition and competencies.

Experimental Investigations on the Thermal Conductivity of Silica Aerogels by a Guarded Thin-Film-Heater Method

2009 ◽  
Vol 131 (7) ◽  
Author(s):  
Sandra Spagnol ◽  
Bérangère Lartigue ◽  
Alain Trombe ◽  
Florence Despetis
Keyword(s):  
Thin Film ◽  
Experimental Data ◽  
Thermal Conductivity ◽  
Direct Measurement ◽  
Silica Aerogels ◽  
Experimental Investigations ◽  
Experimental Setup ◽  
Insulating Materials ◽  
Grain Sizes ◽  
Major Interest

A thin-film-heater method is setup to measure the thermal conductivity of super insulating materials such as silica aerogels. The experimental setup is purposely designed for insulating materials and allows direct measurement of the thermal conductivity. Few experimental data are available in the literature concerning thermal conductivity of aerogels even though these materials are of major interest in thermal insulation. More data are necessary in order to understand thermal transport and to validate existing models. Monolithic and granular silica aerogels are investigated. Our experimental technique enables to quantify the influence of important parameters, such as air pressure and distribution of grain sizes, on the insulating performance of this material.

Absorption and index of refraction for the modeling of InGaAsP/InP photonic devices

1993 ◽  
Vol 71 (9-10) ◽  
pp. 410-416 ◽  
Author(s):  
B. Reid ◽  
R. Maciejko ◽  
A. Champagne
Keyword(s):  
Experimental Data ◽  
Optical Properties ◽  
Wavelength Range ◽  
Photonic Devices ◽  
Index Of Refraction ◽  
The Other ◽  
Other Hand ◽  
Lattice Matched

Methods for modeling, over an extended practical wavelength range, the index of refraction and the absorption in lattice-matched InGaAsP/InP-based photonic devices are reviewed, completed, and clarified. Carrier-induced effects on the optical properties are given special attention. For the index of refraction, the method gives results within 1% of the experimental ones. On the other hand, the results for absorption are more difficult to compare owing to the lack of experimental data.

scholarly journals Refinement of α-synuclein ensembles against SAXS data: Comparison of force fields and methods

2021 ◽  
Author(s):  
Mustapha Carab Ahmed ◽  
Line K. Skaanning ◽  
Alexander Jussupow ◽  
Estella A. Newcombe ◽  
Birthe B. Kragelund ◽  
...  
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Intrinsically Disordered Proteins ◽  
Force Fields ◽  
The Other ◽  
Disordered Proteins ◽  
Saxs Data ◽  
Intrinsically Disordered ◽  
Other Hand ◽  
Dynamics Simulations

AbstractThe inherent flexibility of intrinsically disordered proteins (IDPs) makes it difficult to interpret experimental data using structural models. On the other hand, molecular dynamics simulations of IDPs often suffer from force-field inaccuracies, and long simulations times or enhanced sampling methods are needed to obtain converged ensembles. Here, we apply metainference and Bayesian/Maximum Entropy reweighting approaches to integrate prior knowledge of the system with experimental data, while also dealing with various sources of errors and the inherent conformational heterogeneity of IDPs. We have measured new SAXS data on the protein α-synuclein, and integrate this with simulations performed using different force fields. We find that if the force field gives rise to ensembles that are much more compact than what is implied by the SAXS data it is difficult to recover a reasonable ensemble. On the other hand, we show that when the simulated ensemble is reasonable, we can obtain an ensemble that is consistent with the SAXS data, but also with NMR diffusion and paramagnetic relaxation enhancement data.

scholarly journals Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods

2021 ◽  
Vol 8 ◽  
Author(s):  
Mustapha Carab Ahmed ◽  
Line K. Skaanning ◽  
Alexander Jussupow ◽  
Estella A. Newcombe ◽  
Birthe B. Kragelund ◽  
...  
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Intrinsically Disordered Proteins ◽  
Force Fields ◽  
The Other ◽  
Disordered Proteins ◽  
Saxs Data ◽  
Intrinsically Disordered ◽  
Other Hand ◽  
Dynamics Simulations

The inherent flexibility of intrinsically disordered proteins (IDPs) makes it difficult to interpret experimental data using structural models. On the other hand, molecular dynamics simulations of IDPs often suffer from force-field inaccuracies, and long simulation times or enhanced sampling methods are needed to obtain converged ensembles. Here, we apply metainference and Bayesian/Maximum Entropy reweighting approaches to integrate prior knowledge of the system with experimental data, while also dealing with various sources of errors and the inherent conformational heterogeneity of IDPs. We have measured new SAXS data on the protein α-synuclein, and integrate this with simulations performed using different force fields. We find that if the force field gives rise to ensembles that are much more compact than what is implied by the SAXS data it is difficult to recover a reasonable ensemble. On the other hand, we show that when the simulated ensemble is reasonable, we can obtain an ensemble that is consistent with the SAXS data, but also with NMR diffusion and paramagnetic relaxation enhancement data.

Practical Correction of Three Fold Astigmatism in the Philips CM TEM

1996 ◽  
Vol 54 ◽  
pp. 418-419
Author(s):  
Arno J. Bleeker ◽  
Mark H.F. Overwijk ◽  
Max T. Otten
Keyword(s):  
Optical Properties ◽  
Phase Contrast ◽  
The Other ◽  
Objective Lens ◽  
Symmetric Part ◽  
A Posteriori ◽  
Contrast Transfer Function ◽  
High Brightness ◽  
Rotationally Symmetric ◽  
Brightness Field

With the improvement of the optical properties of the modern TEM objective lenses the point resolution is pushed beyond 0.2 nm. The objective lens of the CM300 UltraTwin combines a Cs of 0. 65 mm with a Cc of 1.4 mm. At 300 kV this results in a point resolution of 0.17 nm. Together with a high-brightness field-emission gun with an energy spread of 0.8 eV the information limit is pushed down to 0.1 nm. The rotationally symmetric part of the phase contrast transfer function (pctf), whose first zero at Scherzer focus determines the point resolution, is mainly determined by the Cs and defocus. Apart from the rotationally symmetric part there is also the non-rotationally symmetric part of the pctf. Here the main contributors are not only two-fold astigmatism and beam tilt but also three-fold astigmatism. The two-fold astigmatism together with the beam tilt can be corrected in a straight-forward way using the coma-free alignment and the objective stigmator. However, this only works well when the coefficient of three-fold astigmatism is negligible compared to the other aberration coefficients. Unfortunately this is not generally the case with the modern high-resolution objective lenses. Measurements done at a CM300 SuperTwin FEG showed a three fold-astigmatism of 1100 nm which is consistent with measurements done by others. A three-fold astigmatism of 1000 nm already sinificantly influences the image at a spatial frequency corresponding to 0.2 nm which is even above the point resolution of the objective lens. In principle it is possible to correct for the three-fold astigmatism a posteriori when through-focus series are taken or when off-axis holography is employed. This is, however not possible for single images. The only possibility is then to correct for the three-fold astigmatism in the microscope by the addition of a hexapole corrector near the objective lens.

Comparison of Aerobic and Anoxic-Aerobic Digestion of Waste Activated Sludge

1985 ◽  
Vol 17 (8) ◽  
pp. 1475-1478 ◽  
Author(s):  
A P. C. Warner ◽  
G. A. Ekama ◽  
G v. R. Marais
Keyword(s):  
Experimental Data ◽  
Activated Sludge ◽  
Waste Activated Sludge ◽  
Activated Sludge Process ◽  
Cycle Times ◽  
Waste Sludge ◽  
Volatile Solids ◽  
In Series ◽  
Flow Through ◽  
Theoretical Simulations

The laboratory scale experimental investigation comprised a 6 day sludge age activated sludge process, the waste sludge of which was fed to a number of digesters operated as follows: single reactor flow through digesters at 4 or 6 days sludge age, under aerobic and anoxic-aerobic conditions (with 1,5 and 4 h cycle times) and 3-in-series flow through aerobic digesters each at 4 days sludge age; all digesters were fed draw-and-fill wise once per day. The general kinetic model for the aerobic activated sludge process set out by Dold et al., (1980) and extended to the anoxic-aerobic process by van Haandel et al., (1981) simulated accurately all the experimental data (Figs 1 to 4) without the need for adjusting the kinetic constants. Both theoretical simulations and experimental data indicate that (i) the rate of volatile solids destruction is not affected by the incorporation of anoxic cycles and (ii) the specific denitrification rate is independent of sludge age and is K4T = 0,046(l,029)(T-20) mgNO3-N/(mg active VSS. d) i.e. about 2/3 of that in the secondary anoxic of the single sludge activated sludge stystem. An important consequence of (i) and (ii) above is that denitrification can be integrated easily in the steady state digester model of Marais and Ekama (1976) and used for design (Warner et al., 1983).

Solid, slightly soluble phosphorus compounds as nutrient source in activated sludge treatment of forest industry wastewaters

1997 ◽  
Vol 35 (2-3) ◽  
pp. 131-138 ◽  
Author(s):  
Pirjo-Riitta Rantala ◽  
Hannu Wirola
Keyword(s):  
Activated Sludge ◽  
The Other ◽  
Phosphorus Compounds ◽  
Forest Industry ◽  
Phosphorus Concentration ◽  
Nutrient Source ◽  
Sludge Treatment ◽  
Grain Sizes ◽  
Soluble Phosphorus ◽  
The Mean

The aim of the study was to determine if solid, slightly soluble compounds can be used as nutrient source in activated sludge treatment plants instead of liquid phosphoric acid. Four different solid materials were tested in lab-scale solubility tests to find compounds which are least soluble. Two materials were chosen for further studies: apatite and raw phosphate. The use of apatite and raw phosphate as nutrient source was studied in lab-scale activated sludge reactors along with a control reactor where phosphorus was added in liquid form. The phosphorus dosage, measured as elementary phosphorus, was the same for all three reactors. The reactors were fed with pre-clarified chemi-thermomechanical pulp mill (CTMP) wastewater. There were no significant differences in the reductions of organic matter between the three reactors. The mean effluent concentration of total phosphorus was 3 mg P/l in the control reactor and less than 1 mg P/1 in the other two reactors. The soluble phosphorus concentration was more than 2 mg P/l in the control reactor and less than 0.5 mg P/l in the other two. Apatite was an even better nutrient source than raw phosphate. Further lab-scale tests were conducted using two different grain sizes of apatite. No significant differences were found between the studied grain sizes (<0.074 mm and 0.074 mm-0.125 mm). Apatite was then used in full-scale at a CTMP-mill two different times. The experiments showed that the mean concentrations of phosphorus can be reduced radically by using apatite as a nutrient source instead of liquid phosphorus. Solid phosphorus compounds are a viable alternative to reduce the phosphorus load from forest industry wastewater treatment plants.

scholarly journals Phase Relations in the ZrO2-MgO-FeOx System: Experimental Data and Assessment of Thermodynamic Parameters

2021 ◽  
Author(s):  
Ivan Saenko ◽  
O. Fabrichnaya
Keyword(s):  
Electron Microscopy ◽  
Experimental Data ◽  
Solid Solution ◽  
Thermodynamic Parameters ◽  
Spinel Phase ◽  
Experimental Investigations ◽  
X Ray ◽  
Heat Treated ◽  
Preliminary Phase ◽  
Scanning Electron

AbstractThermodynamic parameters were assessed for the MgO–FeOx system and combined with already available descriptions of ZrO2-FeOx and ZrO2-MgO systems to calculate preliminary phase diagrams for planning experimental investigations. Samples of selected compositions were heat treated at 1523, 1673 and 1873 K and characterized using x-ray and scanning electron microscopy combined with energy dispersive x-ray spectroscopy (SEM/EDX). Experiments indicated extension of cubic ZrO2 solid solution into the ternary system at 1873 K (75 mol.% ZrO2, 10 mol.% FeOx and 15 mol.% MgO) and limited solubility of 4 mol.% ZrO2 in spinel phase. Based on the obtained results thermodynamic parameters of C-ZrO2 and spinel phase were optimized.

scholarly journals Validation of MATLAB algorithm to implement a two-step parallel pyrolysis model for the prediction of maximum %char yield

2021 ◽  
Vol 1 (1) ◽  
Author(s):  
Ibiba Taiwo Horsfall ◽  
Macmanus Chinenye Ndukwu ◽  
Fidelis Ibiang Abam ◽  
Ololade Moses Olatunji ◽  
Ojong Elias Ojong ◽  
...  
Keyword(s):  
Experimental Data ◽  
Isothermal Condition ◽  
Char Yield ◽  
Experimental Investigations ◽  
Time Saving ◽  
Pyrolysis Products ◽  
Pyrolysis Model ◽  
Experimental Yield ◽  
By Products ◽  
Good Agreement

AbstractNumerical modeling of biomass pyrolysis is becoming a cost and time-saving alternative for experimental investigations, also to predict the yield of the by-products of the entire process. In the present study, a two-step parallel kinetic model was used to predict char yield under isothermal condition. MATLAB ODE45 function codes were employed to solve a set of differential equations that predicts the %char at varying residence times and temperatures. The code shows how the various kinetic parameters and mass of pyrolysis products were determined. Nevertheless, the algorithm used for the prediction was validated with experimental data and results from past works. At 673.15 K, the numerical simulation using ODE45 function gives a char yield of 27.84%. From 573.15 K to 673.15 K, char yield ranges from 31.7 to 33.72% to 27.84% while experimental yield decreases from 44 to 22%. Hence, the error between algorithm prediction and experimental data from literature is − 0.26 and 0.22. Again, comparing the result of the present work with the analytical method from the literature showed a good agreement.

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