Materials Literature
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A protein crystallographer typically spends a large proportion of time manipulating Protein Data Bank (PDB) formatted coordinate files. Of the many situations where such coordinate data must be altered for a particular purpose, a combination of a simple text editor and a number of programs is required. pdb-mode for EM…
The microscopic magnetic properties of superconducting (T<sub>c</sub> ≅ 6 K) λ-(BETS)<sub>2</sub>GaCl<sub>4</sub> (BETS = bis(ethylenedithio)tetraselenafulvalene) have been investigated by <sup>77</sup>Se NMR in the normal state between 7.1 and 100 K on randomly oriented single crystals with κ-(BETS)<sub>2</sub>GaCl<s…
The defect fluorite Zr 4 O 5 N 2 is presented. A simple layered intergrowth of the important bixbyite and fluorite structure types, it displays an A 4 X 7 vacancy ordering alternative to that in the pyrochlore and other structures. This ordering is stabilized by proximity of the highly charged N 3 - anions to the bixb…
A method to remove the effects of instrumental aberrations from the whole powder diffraction pattern measured with a high-resolution synchrotron powder diffractometer is presented. Two types of asymmetry in the peak profiles caused by (i) the axial-divergence aberration of the diffractometer (diffractometer aberration…
To expand our knowledge of Fe 2+ x V 1- x Z (Z = Al, Ga), band calculations (LMTO-ASA) have been performed for several x values ( x =0, ±0.125, ±0.25) with a supercell method. Obtained density of states and magnetic moments indicate that excess atoms, which are introduced instead of the original Fe or V atom in Fe 2 V…
We have performed neutron powder diffraction measurements for La 1- x Sr x MnO 3 ( x =0.00–0.20) at room temperature. We have found that the crystal structure is orthorhombic ( Pbnm , Z =4; O) at x ≤0.14 and rhombohedral ( R \bar3 c , Z =2; R) at x ≥0.18, respectively. At this structural phase transition, the averaged…
\n\t\t\t\t\tThe microstructures of magnesium AZ31 are examined following hot compression testing and annealing. The grain size, fraction dynamically recrystallized and, in a couple of cases, the crystallographic texture are reported. It was found that the progress of dynamic recrystallization is strongly sensitive to…
A method is presented for simultaneous structural refinement of up to several hundred grains inside powders or polycrystals. The method is based on the use of hard X-rays and the indexing program GRAINDEX , where grain orientations are found by scanning in Euler space. Conventional experimental setups and refinement p…
A new method of protein crystallization, the "Micro-stirring" technique, has been developed. The method combines the traditional vapor diffusion technique and a stirring method. Stirring the protein solution prevents excess spontaneous nucleation and promotes larger crystals. This innovative method, Micro-stirring, is…
Surface properties of antiferromagnetic MnO(001) and NiO(001) are investigated by means of first-principles electronic structure calculations. It is shown that the surface O sites have finite spin magnetic moments of 0.04 µ B and 0.07 µ B for MnO and NiO surfaces, respectively. Because of non-zero energy gap even at t…
An integration method for step-scanned single-crystal intensity data based upon fitting of the individual diffraction profiles by a pseudo-Voigt function is presented. Algorithms for both the recovery of weak intensities from data sets and the rejection of aberrant peak profiles are discussed. The ideas presented in t…
In-Plane Orientation and Polarity of ZnO Epitaxial Films on As-Polished Sapphire (α-Al2O3) (0001) Substrates Grown by Metal Organic Chemical Vapor Deposition, Zhang, Bao-ping, Manh, Le-hong, Wakatsuki, Katsuki, Tamura, Kentaro, Ohnishi, Tsuyoshi, Lippmaa, Mikk, Usami, Noritaka, Kawasaki, Masashi, Koinuma, Hideomi, Seg…
High pressure Raman spectra of KNbO 3 –KTaO 3 (KTN) and –NaNbO 3 (KNN) mixed crystals have been measured to study the behavior of the anomalous mode coupling as well as the phase transition and analyzed on the basis of the two-mode coupling model. The anomalous mode coupling has been observed for all samples under pre…
The high resolution transmission electron microscope (HRTEM) observation was carried out to investigate the microstructure of precipitates in a Mg-Gd-Y-Zr alloy. The b{sup ''} and b' phases have co-existed in the peak-aged specimen, and the morphology of their phases was expected as the needle. The interface between t…
\n\t\t\t\t\tRecently magnesium has been recognized as a very promising biomaterial for bone substitutes because of its excellent properties of biocompatibility, biodegradability and bioresorbability. In the present study, magnesium foams were fabricated by using a powder metallurgical process. Scanning electron micros…
We present a new route for the preparation of gamma-alumina and YAG nanoparticles. Metal salts of ethylhexanoic acids provide good solubility in hydrocarbon solvents and allow efficient ultrasonication. The sonication product is an alumioxane gel, which can reversibly collapse and reform, depending on the solvent used…
Wet chemical analyses of well-mixed fine drillings from a zirconium alloyed magnesium ingot showed that the resultant "soluble zirconium" was a function of the concentration of the hydrochloric or nitric acid that was used to digest the samples while the total zirconium could be readily and accurately determined. A so…
Several novel routes for the immobilization of modified Cu(salicylaldimine) complexes on commercially available silica are described. New pulse electron paramagnetic resonance (EPR) and electron-nuclear double resonance sequences, which provide more detailed information than that available previously, in combination w…
A protocol for setting up nanolitre sitting-drop vapour-diffusion experiments is reported. The procedure uses standard crystallization screening kits and 96-well crystallization plates. Reservoir solutions are transferred from 96-deep-well blocks to crystallization plates in a single step with a Robbins-Hydra pipettor…
0.9Pb(Zr 0.61 Ti 0.39 )–0.1Pb(Mn 1/3 Nb 2/3 )O 3 piezoelectric ceramics doped with Yb 2 O 3 were prepared by conventional ceramic processing, and the effects of the Yb doping on the sintering behavior and high power piezoelectric properties were investigated. X-ray diffractomer (XRD) measurements indicated that the pi…