A first-principles study of the structural,elastic, electronic,vibrational, and optical properties of BaSe<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Te<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

The structural, elastic, electronic, vibrational, and optical properties of BaSe_1?xTe_x alloys are investigated by means of the full-potential linearized augmented plane wave method. The exchange–correlation effects are treated with the local density approximation, as well as the GGA-PBE, GGA-PBEsol, and GGA?+?mBJ schemes of the generalized gradient approximation. Ternary BaSe_1?xTe_x compounds have not yet been synthesized. Improved predictions of the structural parameters are obtained using the GGA-PBEsol approach. Calculations of the electronic and optical properties with the GGA?+?mBJ approach yield accurate results. Ternary BaSe_1?xTe_x alloys are wide-band-gap semiconductors with a direct gap Γ–Γ. The upper valence band is mainly due to Se p and Te p states, while the bottom of the conduction band results essentially from Ba d states. The dielectric function, refractive index, reflectivity, absorption coefficient, and energy-loss function are calculated in the range 0–35 eV. The increase in x gives rise to a redshift of the optical spectra. BaSe_1?xTe_x alloys exhibit reflective properties of metals in some energy ranges. The static dielectric constant ?₁(0) and the static refractive index n₀ are calculated. The investigation of the elastic and vibrational properties shows that ternary BaSe_1?xTe_x should be mechanically and dynamically stable, elastically anisotropic, brittle, and relatively soft.     

A sliding-mode observer for high-performance sensorless control of PMSM with initial rotor position detection

This paper proposes a new method to detect the initial rotor position at standstill of permanent magnet synchronous motor (PMSM). To estimate rotor position and rotor speed from the back electromotive force (EMF) voltage, we apply sensorless speed control based on sliding-mode observer (SMO). The initial rotor position is detected by using a suitable high-frequency sequence of voltage pulses intermittently applied to the stator windings at standstill. With this approach, we managed to minimise the error on the estimated position to 3.75° electrical degrees without additional materials and uncomplicated calculations. The stability of the proposed SMO was verified using the Lyapunov method. Numerical simulations and experiments demonstrate that the novel SMO method can effectively estimate rotor position and speed with achievement of good static and dynamic performance. The experimental implementation is carried out on powerful dSpace DS1103 controller board based on the digital signal processor (DSP) TMS320F240.     

The Design of a Generic Intrusion-Tolerant Architecture for Web Servers

Nowadays, more and more information systems are connected to the Internet and offer Web interfaces to the general public or to a restricted set of users. Such openness makes them likely targets for intruders, and conventional protection techniques have been shown insufficient to prevent all intrusions in such open systems. This paper proposes a generic architecture to implement intrusion-tolerant Web servers. This architecture is based on redundancy and diversification principles, in order to increase the system resilience to attacks: usually, an attack targets a particular software, running on a particular platform, and fails on others. The architecture is composed of redundant proxies that mediate client requests to a redundant bank of diversified COTSfootnote{Commercial Off The Shelf.} application servers. The redundancy is deployed here to increase system availability and integrity. To improve performance, adaptive redundancy is applied: the redundancy level is selected according to the current alert level. The architecture can be used for static servers, i.e., for Web distribution of stable information (updated off-line), as well as for fully dynamic systems where information updates are executed immediately on an on-line database. The feasibility of this architecture has been demonstrated by implementing an example of a travel agency Web server.     

A comparative study of a direct and pulse electrodeposition method of TiO2 films and its effect on photoelectrocatalytic degradation of methyl orange dye

The present study reports the titanium dioxide (TiO2) films synthesized from TiCl3 precursor on ITO glass substrates using two electrochemical techniques, namely direct electro-deposition (DE) and pulse electro-deposition (PE). The synthesis potential during the time-on (Ton) period was fixed at ?1.5 V. However, the open-circuit potential was applied during the time-off (Toff) period. The effect of the technique of electro-deposition and Toff duration on the properties of TiO2 films and their photoelectron-catalytic activity were investigated. The obtained films were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-VIS spectrometer, and photocurrent measurement respectively. It is found that the use of the PE technique at different Toff improves the properties of TiO2 films compared to the DE technique. The XRD patterns show the anatase phase with a marked preferential orientation along the (101) direction for all samples. From the SEM analysis, it is seen a significant change from big multigrain agglomerates at DE to a dense film structure and small multigrain agglomerates at different Toff. As the Toff decreases from 3 s to 1 s, the photocurrent response rises and reaches a high value of about 12 mA/cm2. Compared with DE, and under UV light the photocatalytic property of TiO2 film synthesis via PE has been improved in the degradation of methyl orange (MO). Finally, the films deposited at low Toff (Toff =1 s) show a faster degradation of MO.     

Nonlinear features of heart rate variability in paranoid schizophrenic

Cardiovascular mortality is significantly increased in patients suffering from schizophrenia. However, psychotic symptoms are quantified by means of the scale for the assessment of positive and negative symptoms, but many investigations try to introduce new etiology for psychiatric disorders based on combination of biological, psychological and social causes. Classification between healthy and paranoid cases has been achieved by time, frequency, Hilbert–Huang (HH) and a combination between those features as a hybrid features. Those features extracted from the Hilbert–Huang transform for each intrinsic mode function (IMF) of the detrended time series for each healthy case and paranoid case. Short-term ECG recordings of 20 unmedicated patients suffering from acute paranoid schizophrenia and those obtained from healthy matched peers have been utilized in this investigation. Frequency features: very low frequency (VLF), low frequency (LF), high frequency (HF) and HF/LF (ratio) produced promising success rate equal to 97.82 % in training and 97.77 % success rate in validation by means of IMF1 and ninefolds. Time–frequency features [LF, HF and ratio, mean, maximum (max), minimum (min) and standard deviation (SD)] provided 100 % success in both training and validation trials by means of ninefolds for IMF1 and IMF2. By utilizing IMF1 and ninefolds, frequency and Hilbert–Hang features [LF, HF, ratio, mean value of envelope ( \(\bar{a}\) )] produced 96.87 and 95.5 % for training and validation, respectively. By analyzing the first IMF and using ninefolds, time and Hilbert–Hang features [mean, max, min, SD, median, first quartile (Q1), third quartile (Q3), kurtosis, skewness, Shannon entropy, approximate entropy and energy, ( \(\bar{a}\) ), level of envelope variation ([ \(\dot{a}\) (t)]^2), central frequency \((\bar{W})\) and number of zero signal crossing \((\left| {\bar{W}} \right|)\) ] produced a 100 % success rate in training and 90 % success rate in validation. Time, frequency and HH features [energy, VLF, LF, HF, ratio and ( \(\bar{a}\) )] provided 97.5 % success rate in training and 95.24 % success rate in validation using IMF1 and sixfolds. However, frequency features have produced promising classification success rate, but hybrid features emerged the highest classification success rate than using features in each domain separately.     

Characterization of hydrothermally prepared BaTi1−xZrxO3

BaTiO₃ (BTO) and BaTi_0.8Zr_0.2O₃ (BZT) powders were prepared using the hydrothermal method, starting from BaO, TiO₂ and Zr(NO₃)₂, 7H₂O. X-ray diffraction analysis showed that the cubic phase is stable at room-temperature and the pure perovskite phase is obtained after heating the powders for 2 h at 1280 °C. The temperature dependence of the dielectric constant points to ferroelectric behavior. This ferroelectric behavior can likely be due to the presence of a possible quadraticity gradient in the grains since the cubic phase may not be ferroelectric. The diffuse character of the transition is attributed to this quadraticity gradient, to grain size distribution and (for BZT) to spatial fluctuations in the concentrations of the substituted ion (Zr) leading to the coexistence of regions of different Curie temperatures.     

Synthesis of polypyrrole/Fe-kanemite nanocomposite through in situ polymerization: effect of iron exchange,acid treatment,and CO<Subscript>2</Subscript> adsorption properties

This paper focuses on the synthesis of polypyrrole/Fe-kanemite nanocomposites by in situ polymerization of pyrrole. Different percentages of PPy/Fe-kan have been prepared and tested for the CO₂ adsorption. Fe-exchanged kanemite was prepared using various iron contents and used as an oxidant for the preparation of PPy/Fe-kan nanocomposite. The obtained materials were characterized using various techniques such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy, ultraviolet–visible (UV–vis), thermogravimetric analysis TGA, energy dispersive X-ray analysis, scanning and transmission electronic microscopy (SEM, TEM). Based on the XRD and UV–vis analysis, the exchange process leads to the formation of various iron species on the external and internal surface. The thermal stability of PPy/Fe-kan was improved and increased in the following order PPy/Fe-kan (1%) > PPy/Fe-kan (3%) > PPy/Fe-kan (5%) > PPy/Fe-kan (10%) > PPy. SEM and TEM analysis show that the nanocomposite particles have spherical morphology with a high dispersion of the Fe-kanemite in the polymer matrix. CO₂ adsorption at 0 and 15 °C was carried using a volumetric method, and the recorded isotherm indicated that the CO₂ adsorption capacity of PPy/Fe-kan can be enhanced through modification by polypyrrole. The unmodified Na-kanemite has low CO₂ adsorption capacity around 0.05 mmol g^?1 at 15 °C, while the PPy/Fe-kan (5%) nanocomposite presented the best CO₂ adsorption capacity around 1.7 mmol g^?1 at 0 °C under low pressure that is mainly attributable to physical adsorption.     

Characterization of purified phospholipids from krill (Euphausia superba) residues deoiled by supercritical carbon dioxide

Purification of phospholipids (PL) from the Antarctic krill (Euphausia superba) using a two-step extraction process has been investigated. Using supercritical carbon dioxide (SC-CO₂) extraction with optimal extractions conditions of 45 °C, 25MPa, and CO₂ flow rate of 22 g/min, most of the neutral lipids were extracted. PC, PE and PI were then extracted in a second step conducted with modified existing method using ethanol, hexane and acetone as solvents. The major PL of krill residues was quantified by high performance liquid chromatography (HPLC-ELSD). The fatty acid compositions of total PL, PC, PE and PI were analyzed by gas chromatography (GC). A significant amount of polyunsaturated fatty acids (PUFA) was present in both total and PLs fractions. The purified PLs were characterized by their acid value, peroxide value, and the oxidative stability. The purity of PL ranged between 93 and 97% and was evaluated by spectrophotometry.     

Electrochemical synthesis of hafnium carbide powder in molten chloride bath and its densification

Nanocrystalline powder of hafnium-rich-HfC has been successfully synthesised by the electro-deoxidation of HfO₂–carbon precursors in molten chloride. The progress of the solid state reduction was monitored ex situ by analysing partially reduced samples using X-ray diffraction (XRD) and scanning electron microscopy (SEM). It has been shown that the reduction started by converting HfO₂ to CaHfO₃ and an oxycarbide phase of the form HfC_xO_2(1?x). The CaHfO₃ phase then also reduced to give HfC_xO_2(1?x), which subsequently reduced to HfC by ionising oxygen. The morphological analysis indicated almost no growth in the grain size occurred during the course of the electro-deoxidation. This investigation showed some loss of carbon during the electro-deoxidation resulted in metallic rich HfC. The synthesised powder exhibited better sinterability than the commercial HfC powder. Using the synthesised powder, fully dense monolithic HfC ceramics were produced by pressureless sintering at 1973 K with average grain size of about 3 μm.