Materials Literature
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Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle density functional theory is applied to calculate spin density, energy and atom p…
Esse trabalho consiste na obtencao de uma nova rota de sintese para o manganato de niquel (NiMn2O4) atraves do metodo sol-gel proteico, utilizando a gelatina comestivel como precursor orgânico, bem como uma caracterizacao do mesmo. A sintese das nanoparticulas foi realizada atraves da diluicao de sais inorgânicos (NiC…
Oil Jet Cavitation Peening in Air (OPA) is capable of inducing compressive residual stress in standard aerospace materials. This paper demonstrates the process capabilities of OPA on Al 2024-T3. Specifically, changes in the workpiece residual stress, microhardness, mass loss and surface roughness are investigated as a…
This work deals with the investigation of polyethylene gas pipes by means of x-ray diffraction, which have been in use for 35 years for the supply of gas. A lifetime of 50 years was predicted for these polyethylene (PE) pipes of first generation. A remaining life time of 15 years for all gas pipes installed in the sev…
Two important classes of hydrogen storage materials were considered: metallic alloys and molecular borohydrides. Each of them has advantages and disadvantages. Alloys absorb and release hydrogen reversibly and promptly, but in relatively small amount, whereas borohydrides decompose irreversibly yielding over 10 wt% of…
The aim of this work was to investigate the possibilities to support device functionality that includes strongly confined and localized light emission and detection processes within nano/micro-structured semiconductors for biosensing applications. The interface between biological molecules and semiconductor surfaces,…
Thin film solar cells have in recent years gained market quota against traditional silicon photovoltaic panels. These developments were in a large part due to CdTe solar panels on whose development started earlier than their competitors. Panels based on Cu(In,Ga)Se2 (CIGS), despite being more efficient in a laboratory…
Diffusion behavior of spin cast polymer thin films was studied in detail as a function of film thickness. Diffusion coefficients of water molecules in poly(methyl methacrylate) (PMMA) were found to decrease from 10-8 cm2/s in thick films to 10-13 cm2/s in ultra-thin films. In order to probe if there is a characteristi…
Carbon materials are of great relevance in catalysis. In heterogeneous catalytic reactions they can act as reactant, poison, catalyst support and as product. The interaction between carbon and supported catalyst remains an unresolved issue of considerable importance in material science, catalysis and nanotechnology. T…
Ideal transformation optics cloaking at positive frequency, besides rendering the cloaked region invisible to detection by scattering of incident waves, also shields the region from those same waves. In contrast, we demonstrate that approximate cloaking permits a strong coupling between the cloaked and uncloaked regio…
In Table In this Erratum we present the correct values of 22 , 3.64 and 1:00 eV=1 1, for unrelaxed and relaxed surface, respectively. Correspondingly, the values of ( 22 11 ) should be 4.56 and 1:34 in units of eV=1 1, for unrelaxed and relaxed surface, respectively. However, these mistakes do not influence the other…
An update of our 2009 study, "The Future of Nuclear Energy, Facts and Fiction" using the 2009 and the available 2010 data, including a critical look at the just published 2009 edition of the Red Book, is presented. Since January 2009, eight reactors with a capacity of 4.9 GWe have been connected to the electric grid a…
A new hybrid machine having variable reluctance and permanent magnets (PMs) is presented. The machine makes use of the features of a PM machine and variable reluctance machine. The resulting machine is doubly salient and has a structure free of flux reversals. Unlike conventional doubly salient permanent magnet machin…
Two separate test matrices were developed as part if the EM-21 Glass Matrix Crucible Testing. The first matrix, developed using a single component-at-a-time design method and covering glasses of interest primarily to Hanford, is addressed in this data package. This data package includes methods and results from glass…
Wiley-VCH, Weinheim 2010. 540 S., hardcover, € 149.00.—ISBN 978-3527324064
AQME is an open-source Python package to automate the development of workflows with sequential and heterogeneous computational chemistry tasks, such as conformer generation with molecular mechanics, geometry refinement with a neural network potential, and ensemble property prediction with QM calculations. The workflow…
In the title compound, [Cd(C(8)H(7)O(3))(2)(C(12)H(8)N(2))(2)]·5H(2)O, the Cd(II) ion is six-coordinated by two carboxylate O atoms of monodentate 2-(4-hy-droxy-phen-yl)acetate ligands and by four N atoms from two chelating 1,10-phenantroline ligands in a distorted trigonal-prismatic geometry. O-H⋯O hydrogen bonds bet…
In order to better understand the perturbation of the physical and electronic structure of graphene monolayers and bilayers due to interactions with the supporting substrate, we have utilized scanning tunneling microscopy (STM) and spectroscopy (STS) to probe the graphene-substrate interaction for graphene on several…
Resonance cones, the regions where major power and high-intensity fields are concentrated, form with cylindrically anisotropic media when the permittivity tensor elements have opposite signs. The resonance cones inside a circular layer of cylindrically anisotropic material is shown to experience multiple internal refl…
Abstract The explosive properties of inclusion compounds containing the monoanion of the energetic compound 3‐nitro‐1,2,4‐triazol‐5‐one (NTO−) non‐covalently bound to either of two larger, energetic, receptor complexes, namely 1‐(2,4‐dinitrophenyl)‐1,4,7,10‐tetraazacyclododecanezinc(II) or 1‐(2,4‐dinitrophenyl)‐1,4,7,…