Materials Literature
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The packing of uniform fine spherical particles ranging from 1 to 1000 microm has been simulated by means of discrete particle simulation. The packing structure is analyzed, facilitated by the well established Voronoi tessellation. The topological and metric properties of Voronoi polyhedra are quantified as a function…
Several methods have been employed to synthesize SiC nanowires. The methods include heating silica gel or fumed silica with activated carbon in a reducing atmosphere, the carbon particles being produced in situ in one of the methods. The simplest method to obtain β-SiC nanowires involves heating silica gel with activa…
We present first-principles calculations of the bulk and linear moduli of carbon nanotube bundles and individual tubes. The calculations were done using the local-density approximation of density-functional theory. We found the bundle bulk modulus (37 GPa) to be essentially the same as that of graphite (between 34 and…
The size segregation of granular materials in a vibrating container is investigated using Molecular Dynamics. We find that the rising of larger particles is accompanied by the existence of convection cells even in the case of the lowest possible frequencies. The convection can, however, also be triggered by the larger…
Single-crystalline In2O3 nanowires have been successfully synthesized from indium grains by a vapor–solid method at 1030 °C in 90% Ar and 10% O2 atmosphere. These nanowires are uniform with diameters of 40–120 nm and lengths of about 15–25 µm, and crystallize in a cubic structure. The growth of these nanowires is cont…
We have directly observed self-trapped electrons and holes in PbBr$_{2}$ crystals with electron-spin-resonance (ESR) technique. The self-trapped states are induced below 8 K by two-photon interband excitation with pulsed 120-fs-width laser light at 3.10 eV. Spin-Hamiltonian analyses of the ESR signals have revealed th…
The remarkable anharmonicity of the E_{2g} phonon in MgB_2 has been suggested in literature to play a primary role in its superconducting pairing. We investigate, by means of LDA calculations, the microscopic origin of such an anharmonicity in MgB_2, AlB_2, and in hole-doped graphite. We find that the anharmonic chara…
Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of subsurface oxygen in two-dimensional islands between the first and second substrate layers. This leads locally to a decoupling of an O-Ru-O trilayer from the underlying metal. Continued oxidation res…
Brillouin light scattering (BLS) measurements were performed for (17-120) Angstrom thick Cu/Ni/Cu/Si(001) films. A monotonic dependence of the frequency of the uniform mode on an in-plane magnetic field H was observed both on increasing and on decreasing H in the range (2-14) kOe, suggesting the absence of a metastabl…
The motion of granular material in a ball mill is investigated using molecular dynamics simulations in two dimensions. In agreement with experimental observations by Rothkegel [1] we find that local stresses - and hence the comminution efficiency - are maximal close to the bottom of the container. This effect will be…
Na-kanemite has been completely converted to a new layered silicate in a reaction mixture of tetramethylammonium hydroxide (TMAOH) solution, water and 1,4-dioxane as solvent via hydrothermal treatment at temperatures above 130 °C. The effects of the content of TMAOH and water as well as the type of organic solvents on…
Inelastic neutron-scattering spectra of oriented nylon-6 were measured using the filter−analyzer and time-of-flight techniques. The samples studied were semicrystalline fibers with the crystalline fraction either in the α or the γ form, and selectively deuterated polymer films. Strong features observed in the inelasti…
A space-ship-like Cu8 cluster (see picture) results from the linking of two linear [Cu] units previously assembled through the template action of a pentadentate O ligand. The core of the cluster represents an entirely new topology within the vast family of magnetically coupled Cu aggregates. The alkoxide-bridged octan…
In this study, the effects of particle size and heating rate on the combustion properties of Silopi asphaltite were investigated. Nonisothermal thermogravimetry experiments were carried out at three different size fractions and five different heating rates. The TG/DTG experiments were carried out from ambient to 900 °…
Two new tetraazamacrocyclic ligands are designed with the aim of sensitizing the luminescence of Tb(III) and Eu(III) ions in water: L5 [1,4,7,10-tetrakis[N-(phenacyl)carbamoylmethyl]-1,4,7,10-tetraazacyclododecane] and L6 [1,4,7,10-tetrakis[N-(4-phenylphenacyl)carbamoylmethyl]-1,4,7,10-tetraazacyclododecane]. These li…
A series of doubly pyridazine-bridged dicobalt(II) macrocyclic complexes, 1–7, is reported. The pyridazine-containing Schiff-base macrocycle L1 [derived from the (2 + 2) condensation of 3,6-diformylpyridazine and 1,3-diaminopropane] provides four nitrogen donor atoms, disposed in an approximately square-planar manner,…
Abstract New aromatic diamines substituted with a trifluoromethyl group in the side chain, 2,4‐diamino‐3′‐trifluoromethylazobenzene, 2,4‐diamino‐1‐[(4′‐trifluoromethylphenoxy) phenyl] aniline, and 3,5‐diamino‐1‐[(4′‐trifluoromethyl phenoxy) phenyl] benzamide were synthesized and characterized and used to prepare polyi…
Immobilisierte Gold-Nanopartikel wurden durch Abscheidung auf einem makroporösen Film mit dreidimensionaler Ordnung erhalten. Die lokalisierte Oberflächenplasmonenresonanz der Nanopartikel und die photonische Bandlücke des Films sind nach der Immobilisierung noch vorhanden und hängen vom Brechungsindex des umgebenden…
The photochemical and electrochemical properties of a Zn-porphyrin appended rhenium(I) tricarbonyl bipyridine 3-Me-pyridine complex have been investigated; visible-light sensitisation of electron transfer results in ligand substitution at a site remote from the chromophore.
The effects of component interactions on aqueous solubilities and dissolution rates were determined for the explosive formulations octol, composition B, and LX-14 and for mixtures of three separate explosive compounds that make up these formulations. Experiments were performed over the temperature range of (10−30)°C a…