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71.
The tight-binding method is used to describe the electronic waves of metals in the atomic orbital language familiar to chemists. It is shown that (in both fcc and bcc crystals) k vectors with components (0, 0, 1) or (1, 1, 1) carry hybrids between the s waves and Z2 waves whose axis Z is parallel to the direction of the wave vector. In particular the higher-energy hybrid waves are strongly pointed along the wave vector direction. Furthermore, using the finite cube model, with excellent analytical approximations to the orbitals, the existence of privileged wave vector directions perpendicular to the surface approached by an incoming substrate is demonstrated. A preliminary discussion of the favorable conditions for catalysis emphasizes the extremely favorable role of such pointed hybrids if their sub-band lies (empty) just above the Fermi level of the metal. 相似文献
72.
Transparent glass-nanocomposite sample [50Li2B4O7-50(SrO-Bi2O3-Nb2O5)] (mol %) was prepared by a conventional melt-quenching technique. Fluorite (Bi3NbO7) and SrBi2Nb2O9 (SBN) was produced by heat-treating the as-prepared sample at 773 K for 6 h (HT773). The nanocrystallites of fluorite and SBN phases in the Li2B4O7 glass matrix were established by differential thermal analysis (DTA) which is confirmed by X-ray powder diffraction (XRD), infrared spectroscopy and transmission electron microscopic (TEM) studies. The influence of heat-treating the as-prepared sample on the optical properties (transmission, optical band gap and Urbach energy) has been investigated. Properties such as dielectric constant and dielectric loss as a function of frequency (120 Hz -100 k Hz) and temperature (300-829 K) are reported. 相似文献
73.
Jabbar A Tufail M Arshed W Bhatti AS Ahmad SS Akhter P Dilband M 《Isotopes in environmental and health studies》2010,46(4):495-505
In Rechna Doab, samples of the most common vegetation, perennial grass Desmostachya bipinnata (dab), were collected along with soil samples from 29 sites. Natural radioactivity of 22?Ra, 232Th/22?Ac and ??K was measured by using high purity germanium-based gamma ray spectrometer. Activity concentration levels of 22?Ra, 232Th/22?Ac and ??K in soil were found to be 46.8 ± 6.2 (36.0-57.6), 61.4 ± 5.9 (48.2-73.2) and 644.8 ± 73.9 (537.7-868.4) Bq kg?1 (dry mass), respectively, and those in vegetation were 2.74 ± 1.70 (1.00-6.39), 2.24 ± 0.59 (1.56-2.61) and 172.72±113.37 (53.14-469.24) Bq kg?1 (dry mass), respectively. The measured values of the activity concentration in vegetation are comparable with some other international data. Calculated soil to vegetation transfer factors of 22?Ra, 22?Ac and ??K were 0.06 ± 0.03 (0.02-0.14), 0.04 ± 0.01 (0.03-0.04) and 0.26 ± 0.16 (0.09-0.69). The mean outdoor absorbed dose rate in air for the area under study was determined as 8.22 nGy h?1 and the mean indoor absorbed dose rate in air was 11.52 nGy h?1. The total annual effective dose to the general public from the vegetation was found to be (0.02-0.16) mSv, which is below the recommended limit value of 1 mSv y?1 for the general public. The dab vegetation under study was found to be radiologically safe for the population and environment. 相似文献
74.
New sensitive, reliable and reproducible fluorimetric methods for determining microgram amounts of nucleic acids based on their reactions with Fe(II), Os(III) or Sm(III) complexes of 4,7-diphenyl-1,10-phenanthroline are proposed. Two complementary single stranded synthetic DNA sequences based on calf thymus as well as their hybridized double stranded were used. Nucleic acids were found to react instantaneously at room temperature in Tris-Cl buffer pH 7, with the investigated complexes resulting in decreasing their fluorescence emission. Two fluorescence peaks around 388 and 567 nm were obtained for the three complexes using excitation lambda(max) of 280 nm and were used for this investigation. Linear calibration graphs in the range 1-6 microg/ml were obtained. Detection limits of 0.35-0.98 microg/ml were obtained. Using the calibration graphs for the synthetic dsDNA, relative standard deviations of 2.0-5.0% were obtained for analyzing DNA in the extraction products from calf thymus and human blood. Corresponding Recovery% of 80-114 were obtained. Student's t-values at 95% confidence level showed insignificant difference between the real and measured values. Results obtained by these methods were compared with the ethidium bromide method using the F-test and satisfactory results were obtained. The association constants and number of binding sites of synthetic ssDNA and dsDNA with the three complexes were estimated using Rosenthanl graphic method. The interaction mechanism was discussed and an intercalation mechanism was suggested for the binding reaction between nucleic acids and the three complexes. 相似文献
75.
E.K. Abdel-Khalek A.F. Salem A.A. Bahgat 《Journal of magnetism and magnetic materials》2010,322(8):909-914
The magnetic properties of RE0.7Ca0.3Mn0.95Fe0.05O3 perovskite with rare-earth cations (RE=Sm and Gd) were investigated by means of X-ray diffraction, Mössbauer spectroscopy, and low temperature (4.2-266 K) magnetization measurements. Structural characterization of these compounds shows that they both have orthorhombic (Pbnm) structure. The Mössbauer spectra show clear evidence of local structural distortion of the Mn(Fe)O6 octahedron, which is based on the non-zero nuclear quadrupole interactions for high-spin Fe3+ ions. It was found that the local structural distortion increases significantly when Sm3+ is replaced by Gd3+. This distortion is attributed to the Jahn-Teller coupling strength as estimated from the Mössbauer effect results. The magnetic results indicate that the Curie temperature decreases as a result of replacing Sm by Gd. This is due to the decrease of the average A-site cationic radius 〈rA〉. The rapid increase of magnetization at low temperature indicates the magnetic ordering of rare earth ions at the A-site. 相似文献
76.
Abdul Jabbar Muhammad Tufail Waheed Arshed Arshed Salem Bhatti Syed Salman Ahmad Perveen Akhter 《Isotopes in environmental and health studies》2013,49(4):495-505
In Rechna Doab, samples of the most common vegetation, perennial grass Desmostachya bipinnata (dab), were collected along with soil samples from 29 sites. Natural radioactivity of 226Ra, 232Th/228Ac and 40K was measured by using high purity germanium-based gamma ray spectrometer. Activity concentration levels of 226Ra, 232Th/228Ac and 40K in soil were found to be 46.8±6.2 (36.0–57.6), 61.4±5.9 (48.2–73.2) and 644.8±73.9 (537.7–868.4) Bq kg?1 (dry mass), respectively, and those in vegetation were 2.74±1.70 (1.00–6.39), 2.24±0.59 (1.56–2.61) and 172.72±113.37 (53.14–469.24) Bq kg?1 (dry mass), respectively. The measured values of the activity concentration in vegetation are comparable with some other international data. Calculated soil to vegetation transfer factors of 226Ra, 228Ac and 40K were 0.06±0.03 (0.02–0.14), 0.04±0.01 (0.03–0.04) and 0.26±0.16 (0.09–0.69). The mean outdoor absorbed dose rate in air for the area under study was determined as 8.22 nGy h?1 and the mean indoor absorbed dose rate in air was 11.52 nGy h?1. The total annual effective dose to the general public from the vegetation was found to be (0.02–0.16) mSv, which is below the recommended limit value of 1 mSv y?1 for the general public. The dab vegetation under study was found to be radiologically safe for the population and environment. 相似文献
77.
Imen Boukhris Zied Elouedi Salem Benferhat 《International Journal of Approximate Reasoning》2013,54(8):978-999
Graphical models are efficient and simple ways to represent dependencies between variables. We introduce in this paper the so-called belief causal networks where dependencies are uncertain causal links and where the uncertainty is represented by belief masses. Through these networks, we propose to represent the results of passively observing the spontaneous behavior of the system and also evaluate the effects of external actions. Interventions are very useful for representing causal relations, we propose to compute their effects using a generalization of the “do” operator. Even if the belief chain rule is different from the Bayesian chain rule, we show that the joint distributions of the altered structures to graphically describe interventions are equivalent. This paper also addresses new issues that are arisen when handling interventions: we argue that in real world applications, external manipulations may be imprecise and show that they have a natural encoding under the belief function framework. 相似文献
78.
AbstractIn this work, La0.75Ca0.25FeO3?δ perovskite sample was prepared by the coprecipitation method. The nanoparticle was found to crystallize in the orthorhombic (Pbnm) phase as confirmed by X-ray diffraction (XRD) and transmission electron microscopic (TEM). The oxygen non-stoichiometry (δ) and magnetic states of iron ions (three magnetic sextets and non-magnetic doublet) were investigated by Mössbauer spectroscopy at room temperature (RT). The shape of the magnetic hysteresis loop of the sample reveals the existence of a weak ferromagnetism at RT. The magnetization vs. temperature curves, measured in the 9 to 200 K range, showed that the sample exhibits two magnetic-phase transition temperatures at 29 K (Tg) and 120 K (TCO). The magnetization isotherms, M (H), around these magnetic-phase transition temperatures for the sample are analyzed. 相似文献
79.
This paper presents a column generation approach for a storage replenishment transportation-scheduling problem. The problem is concerned with determining an optimal combination of multiple-vessel schedules to transport a product from multiple sources to different destinations based on demand and storage information at the destinations, along with cost-effective optimal strategic locations for temporary transshipment storage facilities. Such problems are faced by oil/trucking companies that own a fleet of vessels (oil tankers or trucks) and have the option of chartering additional vessels to transport a product (crude oil or gasoline) to customers (storage facilities or gas stations) based on agreed upon contracts. An integer-programing model that determines a minimum-cost operation of vessels based on implicitly representing feasible shipping schedules is developed in this paper. Due to the moderate number of constraints but an overwhelming number of columns in the model, a column generation approach is devised to solve the continuous relaxation of the model, which is then coordinated with a sequential fixing heuristic in order to solve the discrete problem. Computational results are presented for a range of test problems to demonstrate the efficacy of the proposed approach. 相似文献
80.
Ahmed Salem 《Linear and Multilinear Algebra》2013,61(6):683-696
The main goal of this article is to extend the concept of q-special functions of complex variable to q-special matrix functions through the study of a q-gamma and a q-beta matrix function. The q-shifted factorial, q-gamma and q-beta matrix functions are defined and some of their properties are investigated. 相似文献