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41.
From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene complex then absorbs up to ten hydrogen molecules, reaching to gravimetric storage capacity of approximately 14 wt %. Dimerization, polymerizations, and incorporation of the TM-ethylene complexes in nanoporous carbon materials are also discussed. Our results are quite remarkable and open a new approach to high-capacity hydrogen-storage materials discovery.  相似文献   
42.
Influences of the different annealing ambient (in air, 1 bar, 2 bar, 3 bar and 4 bar oxygen partial pressure) on the titanium dioxide (TiO2) thin films deposited on soda lime glass by standard radio frequency (rf) magnetron reactive sputtering method at 100 watt were investigated by means of X–ray diffractometer (XRD), ultra violet spectrometer (UV–vis), and Scanning Electron Microscopy (SEM). It was found that either optical properties or energy band gaps of the films enhanced with increase in the oxygen partial pressure up to 3 bar. The energy band gaps of the films (except for the film annealed in 4 bar oxygen partial pressure) became larger than the film annealed in atmospheric pressure. The best transmission was observed for the thin film annealed in 3 bar oxygen partial pressure. Moreover, not only was grain–like structure found to be more dominant than dot–like structure but also growth of anatase phase was observed instead of that of the rutile phase with increasing oxygen partial pressure up to 3 bar. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)  相似文献   
43.
In this paper, the nonlinear Volterra-Fredholm integro-differential equations are solved by using the homotopy analysis method (HAM). The approximation solution of this equation is calculated in the form of a series which its components are computed easily . The existence and uniqueness of the solution and the convergence of the proposed method are proved. A numerical example is studied to demonstrate the accuracy of the presented method.  相似文献   
44.
In the present paper, the numerical damage assessment of the masonry bell tower called “Haghia Sophia” in Trabzon, Turkey is performed by nonlinear 3D finite element modeling. The behavior of bell tower is determined under several different conditions: nonlinear static analysis containing dead and wind loads and nonlinear seismic analysis. In addition to, an assessment of the tower’s stability with respect to the tilt of the tower is carried out by means of a nonlinear analysis. In the nonlinear dynamic analysis, the east–west component of 1992 Erzincan earthquake is used. Cracking and crushing of the masonry have been taken into account, as well as the influence of material nonlinearity. The numerical analysis has given a valuable picture of possible damage evolution, providing useful hints for the prosecution of structural monitoring. The displacement and stress fields, as well as the distribution of cracking have been calculated and compared to the actual distribution of fractures in the tower. It is seen from the numerical results that there is a good agreement with present damages of the bell tower.  相似文献   
45.
In this article, we discuss the analytic solution of the fully developed shock waves. The homotopy perturbation method is used to solve the shock wave equation, which describes the flow of gases. Unlike the various numerical techniques, which are usually valid for short period of time, the solution of the presented equation is analytic for 0 < t < ∞. The results presented converge very rapidly, indicating that the method is reliable and accurate.  相似文献   
46.
The purpose of this article is to introduce an implicit iteration process for approximating common fixed points of three finite families nonexpansive mappings and to prove weak and strong convergence theorems in uniformly convex Banach spaces.  相似文献   
47.
Two new macrocyclic dibenzotetraaza[14]annulene (DBTAA) compounds with indolenine ( 5 ) and pyridoindolenine ( 6 ) moieties were synthesized and characterized by spectroscopy. Both DBTAAs exhibit strong UV-Vis absorption properties in the Soret band region. The theoretical second-order nonlinear optical property, electric dipole moment (μ), dispersion-free dipole polarizability (α) and first hyper-polarizability values were calculated by density functional theory and time dependent density functional theory. The ab-initio quantum mechanical calculation by time-dependent Hartree-Fock method was utilized to investigate the dynamic dipole polarizabilities, dynamic second-order, static, and dynamic third-order (γ) hyper-polarizabilities of the DBTAAs. The configuration interaction technique of all doubly occupied molecular orbitals possesses theoretically defined single-photon absorption (OPA) specifications for the examined structures. The computed maximum OPA wavelengths on both macrocyclic compounds coincide with the preceding measurement outcomes.  相似文献   
48.
49.
An efficient and fast dispersive magnetic solid phase extraction method was developed using MIL‐101(Cr)/poly (mercaptobenzothiazole)@magnetite nanoparticles for the preconcentration and determination of nitrophenols in river and rain water samples. High‐performance liquid chromatography‐Ultraviolet instrument was applied for the analysis of target nitrophenols. The effect of several variables on the extraction performance was explored via design of experiment approach. Limits of detection and linear dynamic ranges were attained in the range of 0.05–0.10 µg/L and 0.2–250 µg/L, respectively. The enrichment factors were in the range of 317–363. The precision (n = 3) of dispersive magnetic solid phase extraction method was in the range of 5.3–6.8%. Eventually, the method was utilized for the analysis of target nitrophenols in river and rain water samples.  相似文献   
50.
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