Materials Literature
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We use the Surface Green Function Matching (SGFM) method and a tight-binding hamiltonian to calculate the (100)-surface electronic band structure and local density of states of the series of Cu-based A^{I}B^{III}C2^{VI} chalcopyrites . We find four surface states in the optical gap energy region of s-p character and t…
Small but influential: Chirality transfer from a small chiral organic unit (D- or L-tartrate) to a very large metal–oxide framework is demonstrated by the enantiomerically pure, nonracemizing polytungstates d- or L-1 (see picture, the central part is shown in polyhedral form; purple Zr, gray W, blue P, black C, red O)…
Magnetic-field-induced electric polarization in nanostructured multiferroic composite films was studied by using the Green's function approach. The calculations showed that large magnetic-field-induced polarization could be produced in multiferroic nanostructures due to enhanced elastic coupling interaction. Especiall…
The luminescence properties of Eu 2+ -activated alkaline-earth silicon-oxynitrides have been studied. In the BaO−SiO 2 −Si 3 N 4 system, a new BaSi 2 O 2 N 2 compound was obtained having the monoclinic structure with lattice parameters a = 14.070(4) Å, b = 7.276(2) Å, c = 13.181(3) Å, β = 107.74(6)°. All MSi 2 O 2 - δ…
The recent literature concerning the magnetocaloric effect (MCE) has been reviewed. The MCE properties have been compiled and correlations have been made comparing the behaviours of the different families of magnetic materials which exhibit large or unusual MCE values. These families include: the lanthanide (R) Laves…
The odd-even effect is demonstrated, for the first time, in dilute polymeric solutions of polyethers, consisting of substituted luminescent quinquephenyl units which are connected by flexible aliphatic chains of 7-12 methylene groups. The effect, which is demonstrated by means of steady state and time resolved fluores…
Natural convection plays an important role in determining the thermal load from molten core accumulated in the reactor vessel lower head during a severe accident. Several numerical and experimental programs were conducted to study the heat transfer in the molten pool. Previous investigations were mostly related to the…
Abstract Poly(vinyl chloride) (PVC) resin was modified by grafting the non‐ionic surfactant poly(oxyethylene 20 sorbitan) monolaurate (Tween ® 20) using isocyanate chemistry. PVC was aminated using ethylenediamine and coupled with hexamethylene diisocyanate. Tween 20 was then reacted with the polymer, resulting in the…
PURPOSE: To determine whether tissue edema changes gadolinium-diethylenetriamine pentaacetic acid (Gd-DTPA)-enhanced T1 relaxation times of the viable myocardium. MATERIALS AND METHODS: A total of 16 isolated pig hearts were divided into four groups (N=4/group) and perfused in a Langendorff apparatus. Gd-DTPA was inje…
The phenomenon of the Portevin-LeChatelier effect is described on the basis of a constitutive model of dynamic strain ageing, which was implemented in three-dimensional finite element analysis. The simulation of the deformation behaviour of Al–Cu alloys is performed, using the constitutive parameters as required by th…
Abstract A series of poly(trimethylenecarbonate‐ε‐caprolactone)‐block‐poly( p‐ dioxanone) copolymers were prepared with varying feed rations by using two step polymerization reactions. Poly(trimethylenecarbonate)(ε‐caprolactone) random copolymer was synthesized with stannous‐2‐ethylhexanoate and followed by adding p‐…
Temperature behaviors of X-ray luminescence (XL), photoluminescence (PL), photostimulated luminescence, and thermoluminescence (TL) were studied in BaFCl:Eu2+ single crystals from room temperature to liquid nitrogen temperature. Six emissions at 275, 315, 365, 385, 435, and 500 nm were observed in the XL spectra and a…
Abstract A 1‐D model for methane partial oxidation in a tubular microreactor is considered. This work is motivated by a recent report by Kikas et al. that experimentally demonstrated the possibility of autothermal generation of hydrogen by partial oxidation of methane in a tubular microreactor. The reactor consists of…
We present a theoretical investigation of energy transfer in the phenylene ethynelene dendrimer known as the nanostar. Data from extensive molecular dynamics simulations are used to model the dynamical effects caused by torsional motion of the phenyl groups. We compare rate constants for energy transfer between the tw…
Abstract Nickel–chromium ferrites NiCr x Fe 2– x O 4 (0 ≤ x ≤ 1.4) were studied using X‐ray diffraction, magnetization measurements and Mössbauer spectroscopy. X‐ray diffraction patterns show that all samples have cubic spinel structure. The temperature dependent magnetic measurements revealed that a magnetic compensa…
We report the global minima for aluminium, gold and platinum metal clusters modelled by the Voter–Chen version of the embedded-atom model potential containing up to 80 atoms using the basin-hopping Monte Carlo minimization approach. The results show that the global minima of the Al, Au and Pt clusters have structures…
The aim of the present work is to explore the effects of ultrasound on desorption of metal ions from activated carbon. The desorption of Cu(II), Mn(II), Hg(II), and Cr(VI) from activated carbon in the absence and the presence of ultrasound is investigated. Desorption studies are performed under various conditions of t…
The NAD(P)H-mediated growth of Au nanoparticles (NPs) in the presence of ascorbic acid, AuCl4-, and cetyltrimethylammonium bromide leads to the formation of shaped NP structures consisting of dipods, tripods, and tetrapods. The shaped particles exhibit a red-shifted plasmon absorbance at lambda = 680 nm, consistent wi…
Two different soluble polymers, poly(ethylene glycol) (PEG) and poly(methacrylic acid) (PMAA), with individual functions were successfully employed in combination with a third additive, sodium dodecyl sulfate (SDS), in one system, and spherical assemblies (e.g., hollow spheres) with multiscale constructs of CaCO3 were…
Two novel dinuclear Gd(III) complexes have been synthesized, based on a xylene core substituted with diethylenetriamine-N,N,N'',N''-tetraacetate (DTTA) chelators in para or meta position. The complexes [Gd2(pX(DTTA)2)(H2O)4]2- and [Gd2(mX(DTTA)2)(H2O)4]2- both exhibit high complex stability (log K(GdL) = 19.1 and 17.0…