Materials Literature
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The adsorption of oxygen atoms O(3P) on both ideal and hydrated rutile TiO(2)(110) surfaces is investigated by periodic density functional theory (DFT) calculations within the revised Perdew-Burke-Ernzerhof (RPBE) generalized gradient approximation and a four Ti-layer slab, with (2 x 1) and (3 x 1) surface unit cells.…
In spite of the enormous interest that has been devoted to its study, the mechanism of the enzyme farnesyltransferase (FTase) remains the subject of several crucial doubts. In this article, we shed a new light in one of the most fundamental dilemmas that characterize the mechanism of this puzzling enzyme commonly refe…
Various types of tungsten oxide nanostructures, including nanowires, nanobundles, and three-dimensional nanowire networks, have been synthesized on large-area silicon substrates by simply heating an array of tungsten filaments in a vacuum chamber. The fine structure and components of as-prepared products can been cont…
Abstract A new comonomer ECz‐BEDOT‐ECz (EBEE) [ECz: N ‐ethylcarbazole‐BEDOT:2,2′‐bis(3,4‐ethyhlenedioxy) thiophene] has been synthesized, characterized, and electropolymerized on Pt and carbon fiber microelectrodes (CFME). The ECz side group of the comonomer plays an important role in determining its physical properti…
We report a study of the possible quantum critical point (QCP) in the rare earth substituted colossal magnetoresistive manganite $({\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Dy}}_{x}{)}_{0.7}{\mathrm{Ca}}_{0.3}{\mathrm{MnO}}_{3}$ with $x=0.347$. A magnetic phase diagram has been proposed in the temperature-field-plane b…
The concept of a spectrum-modifying layer is proposed for the design of a silicon-based guided-mode resonance filter. To realize such a novel device, a grating and waveguide structures are fabricated simultaneously in a suspended silicon nitride membrane. The cladding layer of the silicon substrate is replaced by the…
Abstract An in situ deposition approach was used for the synthesis of nano‐CaSO 4 and nano‐Ca 3 (PO 4 ) 2 . The nanosize particles were confirmed with an X‐ray diffraction technique. Composites of polypropylene (PP) with 0.1–0.5 wt % nano‐ or commercial CaSO 4 or nano‐Ca 3 (PO 4 ) 2 were prepared. The transition from…
A transfer matrix method (TMM), developed recently by Ram-Mohan and Dayananda, has been employed for the first time to generate error function solutions for quaternary diffusion in solid–solid metallic diffusion couples. The method was validated with the aid of a hypothetical couple with known quaternary interdiffusio…
Helical amorphous nanosprings have attracted particular interest due to their special mechanical properties. In this work we present a simple model, within the framework of the Kirchhoff rod model, for investigating the structural properties of nanosprings having asymmetric cross section. We have derived expressions t…
A theory of the formation of nanoscale porous structures in oxides of metals grown by anodization is developed. It is shown that a growing oxide layer can become unstable which yields the formation of a spatially irregular array of pores. The instability is shown to result from a nonlinear dependence of electrochemica…
Abstract The graft reaction of succinic anhydride onto poly(vinyl alcohol) (PVA) was catalyzed by p ‐toluenesulfonic acid monohydrate in solid state. The infrared spectra and 1 H‐NMR spectra confirmed that succinic anhydride was successfully grafted onto PVA backbone. The influences of reaction temperature, reaction t…
A multiscale approach to modelling size effect in crystal plasticity is presented. At the microscale, discrete dislocation dynamics (DD) coupled with finite element (FE) analysis allows the rigorous treatment of a broad range of micro-plasticity problems with minimal phenomenological assumptions. At the macroscale, a…
A new technique was developed for the deposition of colloidal metal nanoparticles on carbon nanotubes. It involves fast evaporation of a suspension containing sonochemically functionalized carbon nanotubes and colloidal nanoparticles. It was demonstrated that metallic nanoparticles with different sizes and concentrati…
Near-infrared to visible upconversion luminescence in CsCaCl3:Tm2+, CsCaBr3:Tm2+ and CsCaI3:Tm2+ is presented and analysed. The upconversion process involves exclusively the 4f-5d excited states of Tm2+, which is a novelty among upconversion materials. The presence of more than one long-lived 4f-5d excited state is th…
A series of conjugated (porphinato)zinc(II)-based chromophores structurally related to [5-(4-dimethylaminophenylethynyl)-15-(5-nitrothienyl-2-ethynyl)-10,20-bis(3,5-bis(3,3-dimethyl-1-butyloxy)phenyl)]zinc(II) were synthesized using metal-catalyzed cross-coupling reactions involving [5-bromo-15-triisopropylsilylethyny…
Abstract In this article, we analyze a Crank‐Nicolson‐type finite difference scheme for the nonlinear evolutionary Cahn‐Hilliard equation. We prove existence, uniqueness and convergence of the difference solution. An iterative algorithm for the difference scheme is given and its convergence is proved. A linearized dif…
Tools for the cold-working applications are typically made from the high-speed steels. However, due to wear and plastic deformation their performance in several applications is not adequate and should be further improved. By using appropriate combination of vacuum heat-treatment in conjunction with a deep-cryogenic tr…
Production of NiTi alloy from elemental powders was conducted by mechanical alloying (MA) and sintering of the raw materials. Effects of milling time and milling speed (RPM) on crystallite size, lattice strain, and XRD peak intensities were investigated by X-ray analysis of the alloy. Powder compaction and sintering t…
The identification of the refractive index and the wave vector for general (possibly active) linear, isotropic, homogeneous, and nonspatially dispersive media is discussed. Correct conditions for negative refraction necessarily include the global properties of the permittivity and permeability functions epsilon=epsilo…
The very first characterization of the structural properties of polymer films obtained by electrografting is reported. AFM-based force spectroscopy was used to investigate poly- N -succinimidyl acrylate (PNSA) layers electrografted directly from a silicon substrate. Quantitative analysis of compression profiles obtain…