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981.
Matiullah Khan Wenbin Cao Ning Chen Zahid Usman Dil Faraz Khan Arbab Mohammad Toufiq Murad Ali Khaskheli 《Current Applied Physics》2013,13(7):1376-1382
The structural, electronic and optical properties of tungsten-doped TiO2 have been investigated using density functional theory with plane wave basis sets and ultrasoft pseuodopotential. Substitutional W doping at Ti sites create W 5d states just below the conduction band minimum while interstitial W doping gives isolated W 5d states in the middle of forbidden region. Averaged bond lengths show that W doping at Ti sites produce minimum structural distortion as compared to the interstitial W-doped TiO2. Substitutional W-doped TiO2 has better visible light absorption compared to interstitial W-doped TiO2 and has stable configuration which provide reasonable explanation for the experimental findings. Tungsten doping in TiO2 with different doping concentrations is investigated as an enabling concept for enhancing the visible light absorption. Optical properties show that optimal W doping concentration would improve the visible light absorption. 2.08% W doping concentration gives strong visible and ultraviolet light absorption among all doped models found consistent with experiments. 相似文献
982.
Ebrahim Kianmehr Narges Shamsaei Zafarghandi Mohammad Ghanbari 《Molecular diversity》2013,17(2):383-388
Novel $N$ -alkyl-2-(alkylthio)-1 $H$ -imidazole derivatives were synthesized in a single step by an efficient and simple method in high yields. Readily available starting materials, mild reaction conditions, operational simplicity and novelty are the key advantages of this method. Besides their novel structures, these compounds may have important biological activities and industrial applications. 相似文献
983.
We consider the tachyon-brane inflationary universe model in the context of a polytropic gas equation of state. In slow-roll approximation, we discuss general conditions of this model. For exponential potential, in high-energy limit the characteristics of the model are presented. By using the seven-year Wilkinson Microwave Anisotropy Probe (WMAP7) observational data, we constrain the cosmological parameters of the model. 相似文献
984.
A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the solid argon experiences a phase transition from solid to liquid and another from liquid to supercritical fluid. By reflecting the shock wave back at the end of its passage, the whole argon may reach the supercritical state. 相似文献
985.
Tsutomu Asano Takuro Furusho Mohammad Mahay Alam Yukihiro Tamba Chie Sawatari Md. Forhad Mina 《Journal of Macromolecular Science: Physics》2013,52(4):774-788
Isotactic polypropylene (iPP) film was melt-crystallized in a temperature gradient. The iPP film showed well oriented α- and β-crystalline textures along the gradient. The crystalline structure, phase transition boundary and lamellar twisting were examined by X-ray diffraction and laser light diffraction (LLD). On the α-β boundary, LLD shows a sharp streak perpendicular to the boundary, where the a-axis of the β-crystal is oriented perpendicular to the temperature gradient. Apart from the boundary, the a-axis of the β-crystal becomes parallel to the gradient. The β-crystal shows lamellar twisting with a pitch of 200 μm at room temperature. When heated the β-crystal, the lamellar distance of 295Å at room temperature decreases to 285Å at 80–100°C and then increases to more than 300Å above 120°C. During the heating, the value of the twist period increases from 200 to 210 μm at 90–100°C, and then to above 224 μm at 140°C. The increase of the twist period is related to the increasing crystalline thickness of the β-lamellae. 相似文献
986.
987.
An analytical solution based on a new exact closed form procedure is presented for free vibration analysis of stepped circular and annular FG plates via first order shear deformation plate theory of Mindlin. The material properties change continuously through the thickness of the plate, which can vary according to a power-law distribution of the volume fraction of the constituents, whereas Poisson’s ratio is set to be constant. Based on the domain decomposition technique, five highly coupled governing partial differential equations of motion for freely vibrating FG plates were exactly solved by introducing the new potential functions as well as using the method of separation of variables. Several comparison studies were presented by those reported in the literature and the FEM analysis, for various thickness values and combinations of stepped thickness variations of circular/annular FG plates to demonstrate highly stability and accuracy of present exact procedure. The effect of the geometrical and material plate parameters such as step thickness ratios, step locations and the power law index on the natural frequencies of FG plates is investigated. 相似文献
988.
This paper addresses lot sizing and scheduling problem of a flow shop system with capacity constraints, sequence-dependent setups, uncertain processing times and uncertain multi-product and multi-period demand. The evolution of the uncertain parameters is modeled by means of probability distributions and chance-constrained programming (CCP) theory. A new mixed-integer programming (MIP) model with big bucket time approach is proposed to formulate the problem. Due to the complexity of problem, two MIP-based heuristics with rolling horizon framework named non-permutation heuristic (NPH) and permutation heuristic (PH) have been performed to solve this model. Also, a hybrid meta-heuristic based on a combination of simulated annealing, firefly algorithm and proposed heuristic for scheduling is developed to solve the problem. Additionally, Taguchi method is conducted to calibrate the parameters of the meta-heuristic and select the optimal levels of the algorithm’s performance influential factors. Computational results on a set of randomly generated instances show the efficiency of the hybrid meta-heuristic against exact solution algorithm and heuristics. 相似文献
989.
Javid Jouzdani Seyed Jafar Sadjadi Mohammad Fathian 《Applied Mathematical Modelling》2013,37(18-19):8467-8483
In this paper, dynamic dairy facility location and supply chain planning are studied through minimizing the costs of facility location, traffic congestion and transportation of raw/processed milk and dairy products under demand uncertainty. The proposed model dynamically incorporates possible changes in transportation network, facility investment costs, monetary value of time and changes in production process. In addition, the time variation and the demand uncertainty for dairy products in each period of the planning horizon is taken into account to determine the optimal facility location and the optimal production volumes. Computational results are presented for the model on a number of test problems. Also, an empirical case study is conducted in order to investigate the dynamic effects of traffic congestion and demand uncertainty on facility location design and total system costs. 相似文献
990.
The paper presents the basic model for the transmission dynamics of West Nile virus (WNV). The model, which consists of seven mutually-exclusive compartments representing the birds and vector dynamics,... 相似文献