Ab initio study of structural,electronic, phase diagram,and optical properties of CdSe<Subscript><Emphasis Type=Italic>x</Emphasis></Subscript>Te<Subscript><Emphasis Type=Italic>1−x</Emphasis></Subscript> semiconducting alloys

Based on the self-consistent ab initio full potential-linearized augmented plane wave method, the structural, electronic, optical, and thermodynamic properties of CdSe _x Te_1−x ternary semiconductor alloys have been investigated. The exchange–correlation potential was calculated using both the generalized gradient approximation (GGA) by Perdew–Burke–Ernzerhof (PBE) and the GGA by Engel–Vosko (EV-GGA). The ground-state properties are determined for the cubic bulk materials CdSe, CdTe, and their mixed crystals at various concentrations (x = 0.25, 0.5, and 0.75). Deviation of the lattice parameter from Vegard’s law and the bulk modulus from linear concentration dependence has been examined. The microscopic origins of the band-gap bowing parameter have been discussed. Moreover, the refractive index and the optical dielectric constant for CdSe _x Te_1−x are studied using different models. Besides, the thermodynamic stability of the alloys of interest is investigated by means of the miscibility critical temperature.     

Thermoeconomic optimization of a shell and tube condenser using both genetic algorithm and particle swarm

This paper presents a thermoeconomic optimization of a shell and tube condenser, based on two new optimization methods, namely genetic and particle swarm (PS) algorithms. The procedure is selected to find the optimal total cost including investment and operation cost of the condenser. Initial cost includes condenser surface area and operational cost includes pump output power to overcome the pressure loss. Design parameters are tube number, number of tube pass, inlet and outlet tube diameters, tube pitch ratio and tube arrangements (30, 45, 60 and 90°). Therefore, shell diameter should be selected less than 7 m, tube length should be less than 15 m, and ratio of diameter to tube length should be in the range of 1/12 to 1/3. In addition, it is found that GA provides better results for computer CPU running time, compared to PS algorithm. Finally, a sensitivity analysis of design parameters at the optimal point is conducted. Results show that an increase in the tube number leads to decrease in the objective function first then it leads to a considerable increment in objective function.     

First principles calculations of structural,electronic, optical and thermodynamic properties of PbS,SrS and their ternary alloys Pb1−xSrxS

Using first-principle method, we investigate the structural, electronic, optical and thermodynamic properties of the strontium semiconductors Pb_1?xSr_xS with 25%, 50% and 75% of Sr. The calculations are performed by using the full-potential linearized augmented plane wave (FP-LAPW) method. As exchange–correlation potential we used the generalized gradient approximation (GGA) of Perdew et al. The variation of the calculated equilibrium lattice constant versus concentration shows that a small deviation from Vegard’s law is clearly visible with downward bowing parameter equal to 0.009 Å. The bulk modulus as a function of x for Pb_1?xSr_xS alloy shows a significant deviation from the linear concentration dependence (LCD) with downward bowing equal to 6.62 GPa. The different roles of structural and chemical effects on the gap bowing and its variation with composition are identified and discussed. In addition, density of states and optical properties were calculated and compared to the available experimental data and previous theoretical works. On the other hand, the thermodynamic stability of these alloys was investigated by calculating the excess enthalpy of mixing ΔH_m as well as the phase diagram.     

Crypt analysis of two time pads in case of compressed speech

Keystream reuse, also known as the two time pad problem, is a well known weakness in stream ciphers. The implementers of the cryptographic algorithms are still underestimating this threat. The keystream reuse exploitation techniques presented so far assume the underlying plaintext to be textual data and all the heuristics presented previously are based on the language characteristics of the underlying text based data, which fail when compression is applied on the plaintext before encryption. This paper presents exploitation techniques for two time pads in case of stream ciphered digitized and compressed speech signals. In this paper we show that how an adversary can automatically recover the digitized speech signals encrypted under the same keystream provided the language (e.g. English) and digital encoding/compression scheme details of the underlying speech signals are known. Our technique of cryptanalysis is based on the modeling of the speech parameters by exploiting the inter frame correlations between each components of the speech vectors in different frames and then using these models to decode the two speech signals in the keystream reuse scenario. The technique is flexible enough to incorporate all modern speech coding schemes based on parameter or hybrid encoding and compression techniques. The simulation experiments have showed promising results for most of the present day speech digitization and compression techniques.     

Mass-production of flexible and transparent Te-Au nylon SERS substrate with excellent mechanical stability

Nano Research - In the past two decades, the field of surface-enhanced Raman scattering (SERS) has flourished and many rational strategies have been reported for the successful construction of SERS...     

Optimization of biohydrogen production by Clostridium butyricum EB6 from palm oil mill effluent using response surface methodology

Clostridium butyricum EB6 successfully produced hydrogen gas from palm oil mill effluent (POME). In this study, central composite design and response surface methodology were applied to determine the optimum conditions for hydrogen production (P_c) and maximum hydrogen production rate (R_max) from POME. Experimental results showed that the pH, temperature and chemical oxygen demand (COD) of POME affected both the hydrogen production and production rate, both individually and interactively. The optimum conditions for hydrogen production (P_c) were pH 5.69, 36 °C, and 92 g COD/l; with an estimated P_c value of 306 ml H₂/g carbohydrate. The optimum conditions for maximum hydrogen production rate (R_max) were pH 6.52, 41 °C and 60 g COD/l; with an estimated R_max value of 914 ml H₂/h. An overlay study was performed to obtain an overall model optimization. The optimized conditions for the overall model were pH 6.05, 36 °C and 94 g COD/l. The hydrogen content in the biogas produced ranged from 60% to 75%.     

Will energy regulations in the Gulf States make buildings more comfortable – A scoping study of residential buildings

Building envelope impacts upon energy consumption and indoor environment. The relationship between envelope components and indoor environment has become increasingly important, especially with the new emphasis on visual comfort, thermal comfort and indoor air quality. This paper examines the interaction between occupant thermal comfort and envelope component regulations in the Gulf States. The country chosen for this study is the Kingdom of Bahrain, the smallest country in the Gulf region. Simulation results and comparative studies were employed to investigate the impact of the current envelope component regulations on the internal environment. The paper focuses on residential buildings and concludes that the envelope component regulations contribute positively to the internal thermal performance. Although these envelope components are not generally the primary elements that impact upon internal thermal comfort there are circumstances when the components become very warm and occupants positioned close to them will experience discomfort. This paper shows that the thermal insulation regulation makes a small impact on thermal comfort, whereas the window regulation, particularly glazing, is more influential and that for most window areas, solar impacts are generally large.     

Comparative study of porous anodic alumina: effects of aluminium deposition methods

This article reports on the comparative study of the fabrication of porous anodic alumina films by anodisation of the aluminium films on glass substrates which were deposited by direct current sputtering and electron beam evaporation methods. The relationship between surface morphology of the deposited aluminum films and porous anodic alumina films was investigated. A more uniform and ordered porous anodic alumina was obtained by fabricating from electron beam evaporation deposited aluminium film with smaller and compact grains. Two-step anodisation was used to further improve the quality of porous anodic alumina compared to one-step anodisation. The optical transmittance spectra within wavelength of 370–800 nm were obtained and the optical properties were studied.     

Investigation of poly(methyl acrylate) grafted chitosan as a polymeric drug carrier

The graft copolymerization of methyl acrylate (MA) onto chitosan in aqueous medium was investigated using potassium persulfate (KPS) as initiator. The grafting conditions were optimized by studying the effects of the polymerization variables (the initiator concentration, the ratio of monomer to chitosan, and reaction temperature) on the percentage of grafting (PG). PG was found to depend on these variables, and the highest grafting percentage (256 %) could be obtained at chitosan = 1 g, KPS = 4.5 × 10^?3 M, methyl acrylate monomer = 6 g, T = 60 °C and t = 180 min. The graft copolymer was characterized by Fourier transform infrared spectra analysis, thermogravimetry (differential thermogravimetry, differential scanning calorimetric), X-ray powder diffraction as well as CP-MAS ¹³C NMR spectroscopy. These analyses are highly confirmed the formation of poly(methyl acrylate) grafted chitosan (PMAGC). Furthermore, the gelation of the grafted polymers (PG 68, 122, 218 and 256 %) in distilled water has been studied, and the results revealed that the percentage of swelling number increase with increasing PG of the polymers. Controlled release of niacin (vitamin B₃) from the hydrogel of the grafted polymers (PG 68, 122 and 256 %) in aqueous medium has been studied using ultraviolet absorption to follow quantities released at different times (for each experiment: PMAGC 100 mg, niacin 2.46 mg, distilled water 100 ml). The study was repeated again with same conditions except the using of 4.92 mg of niacin instead of 2.46 mg (PG of the grafted polymer is 256 %). The diffusion coefficient (D, cm²/h) of niacin from the hydrogel of the grafted polymer (PG 256 %) was calculated depending on Higuchi model (diffusion coefficient of the first load is 0.00194 cm²/h while 0.00255 cm²/h of the second load).