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In this article, we construct and analyze a residual-based a posteriori error estimator for a quadratic finite volume method (FVM) for solving nonlinear elliptic partial differential equations with homogeneous Dirichlet boundary conditions. We shall prove that the a posteriori error estimator yields the global upper and local lower bounds for the norm error of the FVM. So that the a posteriori error estimator is equivalent to the true error in a certain sense. Numerical experiments are performed to illustrate the theoretical results. 相似文献
4.
Vsevolod Khikhlovskyi Albert J. J. M. van Breemen Jasper J. Michels René A. J. Janssen Gerwin H. Gelinck Martijn Kemerink 《Journal of Polymer Science.Polymer Physics》2015,53(17):1231-1237
In many organic electronic devices functionality is achieved by blending two or more materials, typically polymers or molecules, with distinctly different optical or electrical properties in a single film. The local scale morphology of such blends is vital for the device performance. Here, a simple approach to study the full 3D morphology of phase‐separated blends, taking advantage of the possibility to selectively dissolve the different components is introduced. This method is applied in combination with AFM to investigate a blend of a semiconducting and ferroelectric polymer typically used as active layer in organic ferroelectric resistive switches. It is found that the blend consists of a ferroelectric matrix with three types of embedded semiconductor domains and a thin wetting layer at the bottom electrode. Statistical analysis of the obtained images excludes the presence of a fourth type of domains. The criteria for the applicability of the presented technique are discussed. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 1231–1237 相似文献
5.
Identification of metabolites of rupestonic acid in rat urine by liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry
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Dongyu Gu Yi Yang Qibin Chen Madina Habasi Jiangyu Zhao Haji Akber Aisa 《Biomedical chromatography : BMC》2015,29(4):595-603
Rupestonic acid, a potential anti‐influenza agent, is an important and characteristic compound in Artemisia rupestris L., a well‐known traditional Uighur medicine for the treatment of colds. In the present study, high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry was used to detect and identify the metabolites in rat urine after oral administration of rupestonic acid. A total of 10 metabolites were identified or partially characterized. The structure elucidations of the metabolites were performed by comparing the changes in accurate molecular masses and fragment ions with those of the parent compound. The results showed that the main metabolites of rupestonic acid in rat urine were formed by oxidation, hydrogenation and glucuronidation. A metabolism pathway was proposed for the first time based on the characterized structures. This metabolism study can provide essential information for drug discovery, design and clinical application of rupestonic acid. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
6.
João Marcos G. Barbosa Milenna K. Fernandes Rodrigues Lurian C. David Taynara C. e Silva Danielly A. Fortuna Lima Naiara Z. Pereira Emmanuel B. D'Alessandro Anselmo E. de Oliveira Paulo H. Jorge da Cunha Maria Clorinda S. Fioravanti Nelson R. Antoniosi Filho 《Biomedical chromatography : BMC》2020,34(11):e4935
An innovative volatolomic approach employs the detection of biomarkers present in cerumen (earwax) to identify cattle intoxication by Stryphnodendron rotundifolium Mart., Fabaceae (popularly known as barbatimão). S. rotundifolium is a poisonous plant with the toxic compound undefined and widely distributed throughout the Brazilian territory. Cerumen samples from cattle of two local Brazilian breeds (‘Curraleiro Pé-Duro’ and ‘Pantaneiro’) were collected during an experimental intoxication protocol and analyzed using headspace (HS)/GC–MS followed by multivariate analysis (genetic algorithm for a partial least squares, cluster analysis, and classification and regression trees). A total of 106 volatile organic metabolites were identified in the cerumen samples of bovines. The intoxication by S. rotundifolium influenced the cerumen volatolomic profile of the bovines throughout the intoxication protocol. In this way, it was possible to detect biomarkers for cattle intoxication. Among the biomarkers, 2-octyldecanol and 9-tetradecen-1-ol were able to discriminate all samples between intoxicated and nonintoxicated bovines. The cattle intoxication diagnosis by S. rotundifolium was accomplished by applying the cerumen analysis using HS/GC–MS, in an easy, accurate, and noninvasive way. Thus, the proposed bioanalytical chromatography protocol is a useful tool in veterinary applications to determine this kind of intoxication. 相似文献
7.
Two highly ordered isonicotinamide (INA)‐functionalized mesoporous MCM‐41 materials supporting indium and thallium (MCM‐41‐INA‐In and MCM‐41‐INA‐Tl) have been developed using a covalent grafting method. A surface functionalization method has been applied to prepare Cl‐modified mesoporous MCM‐41 material. Condensation of this Cl‐functionalized MCM‐41 with INA leads to the formation of MCM‐41‐INA. The reaction of MCM‐41‐INA with In(NO3)3 or Tl(NO3)3 leads to the formation of MCM‐41‐INA‐In and MCM‐41‐INA‐Tl catalysts. The resulting materials were characterized using various techniques. These MCM‐41‐INA‐In and MCM‐41‐INA‐Tl catalysts show excellent catalytic performance in the selective oxidation of sulfides and thiols to their corresponding sulfoxides and disulfides. Finally, it is found that the anchored indium and thallium do not leach out from the surface of the mesoporous catalysts during reaction and the catalysts can be reused for seven repeat reaction runs without considerable loss of catalytic performance. 相似文献
8.
J. E. Fischer E. Werwa P. A. Heiney 《Applied Physics A: Materials Science & Processing》1993,56(3):193-196
We have used both reflection-geometry and grazing-incidence-geometry X-ray scattering to study thin films of C60 evaporated onto mica substrates via a hot-wall technique. The growth mode yields close-packed C60 planes, which are parallel to the substrate surface and which exhibit out-of-plane correlation lengths of 850 Å. In the film plane the C60 is at best pseudo-epitaxial, with a 0.9° distribution of crystallite orientations, a 450 Å in-plane correlation length, and a 3.7% lattice mismatch, better than obtained by other thin film techniques but far from the accepted definition of single crystal thin film epitaxy. 相似文献
9.
P. Nithiananthi 《Solid State Communications》2006,137(8):427-430
The binding energies of a hydrogenic donor both in the parabolic and non-parabolic conduction band model within the effective mass approximation have been computed for the low-dimensional semiconducting systems (LDSS) like quantum well, quantum well wire and quantum dot taking GaAs/AlxGa1−xAs systems as an example. It is observed that the effect of non-parabolicity is not effective when the system goes to lower dimensionality. The diamagnetic susceptibility of a hydrogenic donor impurity has also been computed in these LDSS in the infinite barrier model. Since no theoretical or experimental works on the diamagnetic susceptibility of LDSS are available in the literature, as a realistic case the diamagnetic susceptibility has been computed in the finite barrier model (x=0.3) for a quantum well and the results are discussed in the light of semiconductor-metal transition. 相似文献
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