Materials Literature
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We employ density-functional theory within the generalized-gradient approximation to investigate infinitely long [0001] ZnO nanowires with hexagonal cross section. We report atomic relaxations, formation energies, and electronic structure of bare ZnO wires with small diameters. We find that relaxations on the facets a…
Electromigration (EM) is an important reliability concern in ultralarge-scale integration interconnects. A refined EM model based on a driving force approach is proposed in this work. The distribution of atomic flux divergence is computed by an finite element method to predict the void nucleation site in interconnects…
Ti 3 Si C 2 thin films were synthesized by magnetron sputtering from Ti3SiC2 and Ti targets. Sputtering from a Ti3SiC2 target alone resulted in films with a C content of ∼50at.% or more, due to gas-phase scattering processes and differences in angular and energy distributions between species ejected from the target. A…
Extended abstract of a paper presented at Microscopy and Microanalysis 2007 in Ft. Lauderdale, Florida, USA, August 5 – August 9, 2007
The heat of formation, ΔHf, for La2Ni10H14, an important property for hydrogen storage, was remarkably overestimated in calculations, and has discouraged the use of first principles total energy methods in the search for novel metal hydrides. Here, we employ the all-electron full-potential linearized augmented plane w…
Hf(1-x)Lu(x)W(2)O(8-y) solid solutions up to x = 0.04, based on a negative thermal expansion material HfW(2)O(8), were synthesized by a solid state reaction method. X-ray diffraction experiments of these solid solutions from 90 to 560 K indicated thermal contraction with increasing temperature. Temperatures of order-d…
The VAPEX computer code is used to analyze three large-scale experiments in corium/water interaction performed at the FARO Facility. Only the mixing of a corium jet with water at different values of pressure is studied in experiments L-14 and L-24; in experiment L-33, an initiating device is used to make a steam explo…
A soft solution method for synthesizing nanocrystalline CeO2 powders via formation of cerium citrate compounds with subsequent thermal decomposition was studied. Increasing calcinations temperature could result in a larger crystalline size, while increasing the citric acid content resulted in the powders with less agg…
The crystal chemistry of three Li-, Fe-, and Mn-rich trioctahedral micas has been characterized by single-crystal X-ray diffraction. The samples are from Hirukawa mine, Japan: (Si 3.43 Al 0.57 )(Al 1.00 Fe 0.38 Mg 0.01 Mn 0.17 Li 1.44 )(Na 0.05 K 0.95 )O 10 F 1.88 (OH) 0.12 ; from Mokrusha mine, Russia: (Si 3.30 Al 0.…
New epoxy-containing cyclopropylstyrenes were synthesized and their copolymerization with styrene in benzene in the presence of AIBN was studied. The reactivity ratios of cyclopropylstyrenes (r 1) and styrene (r 2) range from 1.15 to 1.18 and from 0.55 to 0.58, respectively, and the parameters Q 1 and e 1 vary over 2.…
It is shown that the problem of excitation of a magnetodielectric layer with parameters ɛ and μ equal to minus unity by a point source is not always solvable. Conditions under which the problem has a solution are established. It is found that, in the vicinity of the singular point ɛ = μ = −1, determination of the fiel…
Carbon nanocoils with controlled diameters have been synthesized by thermal chemical vapor deposition using carboxylic acid metals as a precursor of the catalyst. It has been found that the line diameter of the nanocoils is determined by the size of the catalyst particles which can be controlled by adjusting the conce…
This article describes a laboratory experiment that allows the students to characterize the photophysical properties of ruby, the crystalline material that was used as the active medium to produce the first laser emission. The students record the absorption and emission spectra of low-cost samples of industrial ruby a…
Two types of polypropylene (PP) with different molecular structure, namely, homogeneous PP (PPH) and PP block‐copolymer (PPC), were blended with a long chain, branched, low density polyethylene (LDPE) in a twin screw extruder and then injection moulded into test specimens; the mechanical properties and morphology of t…
The temperature and concentration dependencies of the surface tension of high-purity tin and its alloys with lead were investigated in an ultrahigh vacuum by the large-drop method. It was shown that the tin surface-tension polytherm obeyed the equation σ(T) = 570.0 − 0.08(T − T m). Lead was found to possess high surfa…
The service life of mild steel equipment found in the oil and gas production and transportation industry is often conditional on the viability of protective iron carbonate films. Once deposited on steel surfaces as by-products of the carbon dioxide corrosion process, their integrity may be severely affected by the inf…
Crosslinked chitosan/poly(vinyl alcohol) nanofibres were successfully prepared via electrospinning technique with heat mediated chemical crosslinking. The structure, morphology and mechanical properties of nanofibres were characterised by attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR),…
Unsubstituted porphycene was prepared in 65% yield from 2,7,12,17-tetra-tert-butylporphycene. Taking into account the yield of the substrate, this represents more than a five-fold improvement compared to the methodology used to date. Enhanced availability of the parent porphycene may be exploited in synthetic procedur…
One of alternative methods of water disinfection is its treatment by pulsed electric discharges (PEDs). In this case, during the discharges, bacteria are destroyed by UV radiation with a significant share of energy in waves of 200-400 nm and by shock waves, which are formed at the initial stage of the discharge-column…
Amyloid fibrils are important components of tissue deposits in neurodegenerative and protein misfolding diseases. Because modified amyloid peptide subunits can be generated by synthetic methods and the nanometer-scale fibrils are stable under diverse conditions, amyloid fibrils have been suggested for use in nanotechn…