Materials Literature
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MX is a portable beamline control system that has been described at previous NOBUGS meetings. This talk will briefly review MX and then discuss important changes and improvements made since the last meeting in 2000. For materials science, work has focused on extending the support for multichannel analyzers and for fas…
The development of control software for a neutron powder diffraction instrument at the Safari-1 research reactor of South Africa is reported. The software runs under Windows 2000 and incorporates PC-based cards for data acquisition and motion control. It has the capability to collect data from multiple detectors and c…
This new package will provide easy-to-use access to crystallographic structure solution, model building and structure analysis. It will be possible for any developer to integrate scientific software into the system.
A detailed analysis of the formation energies for alkali, earth-alkali, and transition-metal hydrides is presented. The hydriding energies are computed for various crystal structures using density functional theory. The early transition metals are found to have a strong tendency for hydride formation which decreases a…
Abstract Organically modified montmorillonite was synthesized with a novel 1,2‐dimethyl‐3‐ N ‐alkyl imidazolium salt or a typical quaternary ammonium salt as a control. Poly(ethylene terephthalate) montmorillonite clay nanocomposites were compounded via melt‐blending in a corotating mini twin‐screw extruder operating…
The field emission of individual multiwall carbon nanotubes grown by chemical vapor deposition was measured in a scanning electron microscope. By using a sharp anode, we were able to select one nanotube for measurements in carefully controlled conditions. Single nanotubes follow the Fowler-Nordheim law, and the depend…
Structural genomics seeks to expand rapidly the number of protein structures in order to extract the maximum amount of information from genomic sequence databases. The advent of several large-scale projects worldwide leads to many new challenges in the field of crystallographic macromolecular structure determination.…
Transparent sols of crystalline gadolinium doped zirconia particles with the general formula Zr 1 - x Gd x O 2 - x/2 (where x = 0–0.20), were prepared by a hydrothermal sol-gel method using cheap inorganic precursors. The composition, structure, crystallite size and lattice parameters of the crystalline dried sol part…
An urgent worldwide problem in the field of environment protection is the development of energy saving and highly efficient technologies for removal of volatile organic compounds (VOCs) from gas emissions of large volume and emitted at rather low temperatures, such as low concentrated ventilation exhausts at room temp…
The new generation of dedicated Engineering Strain Scanners at neutron facilities such as ENGIN-X at ISIS and SMARTS at LANSCE offer considerable increases in both the throughput of samples and the density of measurements which are feasible within each sample. This trend is set to increase further with new neutron sou…
The NeXus format allows the storage of measured data next to a description of sample and instrument setup in a standardized manner. The NeXus standard itself gives only general rules how an instrument setup is described. A so called instrument definition contains a minimal set of information and the location of that i…
Simultaneous studies on the magnetic and electrotransport properties of Nd_{0.67} Sr_{0.33} Mn_{1-x} Fe_x O_3 polycrystalline bulk and epitaxial thin films (x = 0.00 and 0.05) have been carried out. A magnetoresistance (MR) as high as ~ 33% is observed for Nd_{0.67} Sr_{0.33} MnO_3 bulk at the metal-insulator transiti…
The thermal decomposition of Şaphane alunite from Kütahya, Turkey, has been studied using ambient- and high-temperature X-ray diffraction analysis, differential thermal analysis, and thermogravimetric analysis. The alunite content in the ore was about 47.5%. The first endothermic peak at about 545 °C is due to the deh…
Single crystals of CsCdCl3, CsCdBr3, CsMgBr3, and MgBr2 doped with 0.1/5% Ni2+ were grown by the Bridgman technique and studied by variable-temperature optical absorption and luminescence spectroscopies. At cryogenic temperatures all these systems are dual emitters; i.e., they emit light from two distinct, thermally n…
A system of entrapping proteinaceous material in water-in-silicone oil emulsions using silicone surfactants is described. Although contact between cyclic and linear silicones and proteins is well-known to facilitate protein/enzyme denaturation, the additional presence of silicones bearing a few hydrophilic groups (sil…
Mixtures of poly(dimethylsiloxane) oil and hydrophobized silica are used for foam control and are termed antifoam compounds or mixed oil−silica antifoams. In a previous study, we found experimentally a well-pronounced maximum in the antifoam efficiency at a certain optimal silica hydrophobicity. The reasons for this p…
The diffusion coefficient and conductivity of the chemically cross-linked polymer gel electrolyte composed of poly(ethylene glycol) dimethacrylate and LiBF 4 -EC/EMC were measured in order to investigate the effect of the polymer on the nature of carrier migration in the gel. With an increase of the polymer fraction i…
The atropisomeric dopant 2,2',6,6'-tetramethyl-3,3'-dinitro-4,4'-bis[(4-nonyloxybenzoyl)oxy]biphenyl (1) induces a ferroelectric SmC phase when doped into the SmC liquid crystal hosts 2-(4-butyloxyphenyl)-5-octyloxypyrimidine (PhP1) and (+/-)-4-[(4-methylhexyl)oxy]phenyl 4-decyloxybenzoate (PhB). The propensity of dop…
The dynamics of the two different components of thermodynamically miscible polymer blends can have very different temperature dependences (“thermorheologically complex”) in some cases, while in others the two components behave more in agreement with intuition and have similar temperature dependences. The presence of s…
The synthesis of a number of 3d transition metal binary pyrazolates in microcrystalline form, thus suitable for a full XRPD characterization, has been pursued. The crystal and molecular structures of the Fe(pz)3, Co(pz)2, Co(pz)3, and Ni(pz)2 polymers, together with the few congeners reported in the recent literature,…