Materials Literature
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Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the d…
Improved selectivity and decreased formation of overoxygenated byproducts were achieved by using a MeCN/H2O biphasic system for the iron-catalyzed oxidation of benzene to phenol with H2O2. Under optimized reaction conditions with 5-carboxy-2-methylpyrazine-N-oxide as the ligand for iron [Eq. (1)] a benzene conversion…
The aggregation of proteins and peptides in the form of stable and highly ordered amyloid fibrils is most commonly associated with pathological conditions such as Alzheimer's disease and the transmissible spongiform encephalopathies. The involvement of only a handful of proteins in amyloid formation in vivo has common…
We present a solid-on-solid model of a binary AB compound, where atoms of type A in the topmost layer interact via anisotropic interactions different from those inside the bulk. Depending on temperature and particle flux, this model displays surface reconstructions similar to those of (001) surfaces of II-VI semicondu…
The Brillouin light scattering spectra of the o-terphenyl single crystal are compared with those of the liquid and the glass phases. This shows (i) the direct evidence of a fast relaxation at frequencies nu approximately 5 GHz in both the single crystal and the glass; (ii) a similar temperature dependence for the atte…
We present the results of nonequilibrium molecular dynamics simulations for the growth of a solid binary alloy from its liquid phase. The regime of high pulling velocities V, for which there is a progressive transition from solute segregation to solute trapping, is considered. In the segregation regime, we recover the…
The crystallographic and magnetic phase diagram of the $n=2$ layered manganite ${\mathrm{La}}_{2\ensuremath{-}2x}{\mathrm{Sr}}_{1+2x}{\mathrm{Mn}}_{2}{\mathrm{O}}_{7}$ in the region $x>~0.5$ has been studied using temperature-dependent neutron powder diffraction. The magnetic phase diagram reveals a progression of…
We have investigated electronic structures of antiferromagnetic ${\mathrm{YBaCo}}_{2}{\mathrm{O}}_{5}$ using the local spin-density $\mathrm{approximation}+U$ method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site Coulomb interaction. ${\mathrm{Co}}^{2+}$ and ${\ma…
Powder compositions of LaGaO 3 , La 0.9 Sr 0.1 GaO 2.95 , and La 0.8 Sr 0.2 Ga 0.83 Mg 0.17 O 2.815 were prepared via a Pechini‐type process that uses citric acid and ethylene glycol. The calcination behavior of the precursor powders of the above‐mentioned phases was studied in the temperature range of 200°–1400°C in…
We have investigated the surface chemical composition of crystalline films of ${\mathrm{La}}_{0.65}{\mathrm{Sr}}_{0.35}{\mathrm{MnO}}_{3}$ by angle-resolved x-ray photoelectron spectroscopy. The surface composition was found to be significantly different from that of the bulk because of an appreciable Sr segregation.…
Multilayered polymer nanocapsules have been fabricated via the sequential adsorption of oppositely charged polyelectrolytes onto gold nanoparticles followed by dissolution of the gold core in cyanide solution. The Figure shows a gold nanoparticle coated with eight polyelectrolyte layers.
Optical measurements on ZnS nanoclusters have been carried out to investigate surface effects along with quantum size effects. ZnS nanocrystals have been synthesized in the range of 1.5–2.5 nm, using different chemical methods as well as electronic passivating procedures. The size of nanoparticles has been estimated f…
We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ the…
We have proposed a qualitative model for the structure of binary systems similar to Pd-Er alloys, which explains their nonmonotonic relaxation after the hydrogen saturation. It is based on the assumption that such a solid solution involves two kind heterogeneities. The former are caused by spinodal decomposition of th…
Super-hydrophilic titanium oxide films show excellent potential as anti-fogging and self-cleaning surfaces; however, until now these properties have been limited to outdoor applications, since the high wettability condition requires sunlight-intensity UV radiation. Here is reported a novel TiO2/WO3 film (see Figure) t…
Thermal conductivities Λ of amorphous carbon thin films are measured in the temperatures range 80–400 K using the 3ω method. Sample films range from soft a-C:H prepared by remote-plasma deposition (Λ=0.20 W m−1 K−1 at room temperature) to amorphous diamond with a large fraction of sp3 bonded carbon deposited from a fi…
Three common finishing treatments of stainless steel that are used for equipment during poultry processing were tested for resistance to bacterial contamination. Methods were developed to measure attached bacteria and to identify factors that make surface finishes susceptible or resistant to bacterial attachment and b…
Silicon carbide (SiC) nanowires were synthesized at 900°C by the laser ablation technique. The growth morphology, microstructure, and defects in SiC nanowires were characterized by scanning electron microscopy (SEM) and high‐resolution transmission electron microscopy (HRTEM). The Raman scattering study indicated that…
Abstract Gelatinized starches were prepared with various content of glycerol and were investigated in terms of the effect of the glycerol addition on characteristics of starch and its blends. Poly (L‐lactic acid) (PLA) with various ratios of linear/star shaped PLA and starch gelatinized with various ratios of water/gl…
Core–shell microgels are crosslinked nanosized spherical particles with a chemical composition that is different on the surface compared to the core region. By employing a core with special optical properties, e.g., a core labeled either with organic dye molecules or noble metal clusters (see Figure), these particles…