Materials Literature
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In-situ deposited thin films of the conducting polymer poly-3,4-ethylenedioxythiophene (PEDOT) have been prepared on hydrophilic and hydrophobic substrates and characterized by UV-Vis spectroscopy, atomic force microscopy and resistivity measurements.
The oligomerization of lysozyme in aqueous solution was investigated by Monte Carlo simulations as a function of protein concentration, pH, and electrolyte screening. Lysozyme was modeled as a hard sphere with embedded pH-dependent discrete charges and with an attractive 1/ r 6 -potential representing nonspecific shor…
Reaction of the diferric sandwich-type polyoxometalate (NaOH(2))(2)Fe(III)(2)(P(2)W(15)O(56))(2)(16-)(1) with excess aqueous Cu(II) or Co(II) yields a new type of d-electron-metal substituted polyoxometalate, [TM(II)Fe(III)(2)(P(2)W(15)O(56)) (P(2)TM(II)(2)W(13)O(52))](16-), TM = Cu (2), Co (3), respectively. The stru…
We have measured high-energy-resolution Fe $2p$ photoelectron spectra for $\ensuremath{\alpha}\ensuremath{-}{\mathrm{Fe}}_{2}{\mathrm{O}}_{3}/\ensuremath{\alpha}\ensuremath{-}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}(0001)$ grown by oxygen-plasma-assisted molecular-beam epitaxy at emission angles chosen to enhance bulk and su…
We report a systematic study of 〈100〉 epitaxial films of magnetite $({\mathrm{Fe}}_{3}{\mathrm{O}}_{4})$ of thickness 300--2000 \AA{}, grown on single-crystal substrates (MgO, ${\mathrm{MgAl}}_{2}{\mathrm{O}}_{4},$ and ${\mathrm{SrTiO}}_{3}$) using pulsed laser deposition. The magnetic state was explored by measuring…
Investigations into replacing Me2Cd as a common precursor for the synthesis of CdSe nanoparticles by pyrolysis in a hot coordinating solvent have proven that more stable, less volatile or even crystalline organometallic cadmium compounds can be used instead of Me2Cd. Dineopentylcadmium, bis(3-diethylaminopropyl)cadmiu…
The modification of bundled single-walled and multiwalled carbon nanotubes is examined using a combination of computational and experimental methods. The computational approach is classical molecular dynamics simulations using the many-body reactive empirical bond-order potential parametrized by Brenner. The simulatio…
We present a comprehensive theoretical investigation of the electron-phonon contribution to the lifetime broadening of the surface states on Cu(111) and Ag(111), in comparison with high-resolution photoemission results. The calculations, including electron and phonon states of the bulk and the surface, resolve the rel…
The valence band structure of the layered transition metal dichalcogenide ${\mathrm{WS}}_{2}$ has been determined experimentally by angle resolved photoelectron spectroscopy and theoretically by augmented spherical wave band structure calculations as based on density functional theory. Good agreement between experimen…
We investigate the indirect generation of the partial width of the $ω(782)$ meson with respect to the reaction $ω(782) \to ρ(770) π\toπ^+π^-π^0$ within the context of a ``Unitary Effective Resonance Model'' (UERM), which has previously been applied to resonant fermionic field operators, here extended to scalar, pseudo…
Results for the late-time regime of phase ordering in three dimensions are reported, based on numerical integration of the time-dependent Ginzburg-Landau equation with nonconserved order parameter at zero temperature. For very large systems ($700^3$) at late times, $t \ge 150,$ the characteristic length grows as a pow…
Our simulations of polymer crystallization from solutions show that (1) entropic barriers control the selection of the initial lamellar thickness, (2) growth at the crystalline interface is chain adsorption followed by crystallographic registry, and (3) lamellar thickening is a highly cooperative process requiring the…
Systematic changes in the chemistry of evaporated seawater contained in primary fluid inclusions in marine halites indicate that seawater chemistry has fluctuated during the Phanerozoic. The fluctuations are in phase with oscillations in seafloor spreading rates, volcanism, global sea level, and the primary mineralogi…
Abstract A systematic study of the current efficiency (CE) in a laboratory aluminium cell with SnO 2 -based inert anodes was carried out by measuring the overall amount of oxygen relieved at the anode, using two different methods. Inert ceramic anodes of 96% SnO 2 , 2% Sb 2 O 3 , 2% CuO in wt% composition were prepare…
The dynamic conduction of bismuth-containing oxide layered ceramics of the composition Sr 2 Bi 2 TiNb 2 O 12 is investigated in a weak alternating field at frequencies of 0.5–500 kHz in the temperature range 300–700 K. It is demonstrated that the high-temperature conduction can be adequately described in terms of theo…
A novel calix[4]azacrown-4 (2) was prepared, and its single crystal X-ray crystallographic analysis revealed that the carbonyl groups O atoms in 2 interact with amide H in another molecule of 2 by hydrogen bonds in the crystal, thus giving rise to a dimer possessing three “crown ether” rings.
This work presents a study of contact stress phenomena in spherical fruits which generates non-linear relations for force and deformation. The material viscoelastic behavior is then associated with the non-linear relations due to the geometry of the body, generating a non linear viscoelastic problem. Such a nonlineari…
The crystal structure of calcioburbankite (Na,Ca) 3 (Ca, RE ,Sr,Ba) 3 (CO 3 ) 5 found in carbonatites from Vuoriyarvi (North Kareliya) was solved by the Rietveld method. The experimental data were collected on an ADP-2 diffractometer (λCu K α radiation; Ni filter; 16.00° < 2θ < 130.00°; the number of (α 1 + α 2 ) refl…
The variation of the temperatures of martensitic transformations and the rate of radiation damage in TiNi alloys were studied upon irradiation with reactor neutrons. The irradiation was performed at temperatures of 120 and 335 K. In the process of irradiation, electrical resistance of the alloys was measured continuou…
During the last decade, the failure behavior of high-burnup fuel rods under a reactivity-initiated accident (RIA) condition has been a serious concern since fuel rod failures at low enthalpy have been observed. This has resulted in the reassessment of existing licensing criteria and failure-mode study. To address the…