X-ray diffraction systems

In this Datareview, the crystalline quality of GaN and also of ternary alloys on GaN, which have wurtzite structure, characterised by a triple-axis high resolution X-ray diffraction system, is reviewed. 

For x-ray diffraction systems, the diffracted beam is also small and focused with an intensity of up to 80 R/h ( 22 mR/s). Prolonged or repeated exposures to a beam of this intensity could result in an individual exceeding the annual dose limit for the particular tissue irradiated. 

Takahishi, S. Taniguchi. M. Omote, K. Wakabayashi, N. Tanaka. R. Yamagishi. A. First observation of in-plane x-ray diffraction arising from a single inorganic compound film by a grazing incidence x-ray diffraction system with a conventional laboratory x-ray source. Chem. Phys. Lett. 2002. 352. 213-219. 

Figure 16. Photograph of the energy dispersive x-ray diffraction system showing the horizontal goniometer with the DAG mounted on an x-y-z positioning device to facilitate sample alignment.

X-ray diffraction (XRD) measurement was carried out by using a PANalytical Xpert Multipurpose X-ray Diffraction System ( MPD ). Morphology and grain size of the sintered pellets were examined hy using scanning electron microscope FEl Nova NanoSEM 230 FESEM. Electrical resistivily (p) and Seebeck coefficient (S) were measured simultaneously between room temperature (RT) and 973 K by using DC four-probe method with a ZEM-3 (ULVAC-RIKO, Japan) under a low pressure of helium atmosphere. Thermal conductivity measurement was described elsewhere. ... 

Molecular dynamics simulations of proteins often begin with a known structure (such as an X-ray diffraction structure) that you want to maintain during equilibration. Since the solvent may contain high energy hot spots, equilibration of the protein and solvent at the same time can change the protein conformation. To avoid this, select only the water molecules and run a molecular dynamics equilibration. This relaxes the water while fixing the protein structure. Then deselect the water and equilibrate the whole system. 

Glass-forming systems other than siUca have been examined. The fraction of three- and four-coordinated boron in borate glasses can be determined by nmr (29). Both nmr and x-ray diffraction (30) results led to the suggestion that the boroxyl ring is the stmctural unit of vitreous The... 

The monolayer resulting when amphiphilic molecules are introduced to the water—air interface was traditionally called a two-dimensional gas owing to what were the expected large distances between the molecules. However, it has become quite clear that amphiphiles self-organize at the air—water interface even at relatively low surface pressures (7—10). For example, x-ray diffraction data from a monolayer of heneicosanoic acid spread on a 0.5-mM CaCl2 solution at zero pressure (11) showed that once the barrier starts moving and compresses the molecules, the surface pressure, 7T, increases and the area per molecule, M, decreases. The surface pressure, ie, the force per unit length of the barrier (in N/m) is the difference between CJq, the surface tension of pure water, and O, that of the water covered with a monolayer. Where the total number of molecules and the total area that the monolayer occupies is known, the area per molecules can be calculated and a 7T-M isotherm constmcted. This isotherm (Fig. 2), which describes surface pressure as a function of the area per molecule (3,4), is rich in information on stabiUty of the monolayer at the water—air interface, the reorientation of molecules in the two-dimensional system, phase transitions, and conformational transformations. 

A number of reviews have appeared covering the various aspects of borate glasses. The stmcture, physical properties, thermochemistry, reactions, phase equihbria, and electrical properties of alkah borate melts and glasses have been presented (73). The apphcation of x-ray diffraction, nmr, Raman scattering, in spectroscopy, and esr to stmctural analysis is available (26). Phase-equihbrium diagrams for a large number of anhydrous borate systems are included in a compilation (145), and thermochemical data on the anhydrous alkah metal borates have been compiled (17). 

Solid state NMR is a relatively recent spectroscopic technique that can be used to uniquely identify and quantitate crystalline phases in bulk materials and at surfaces and interfaces. While NMR resembles X-ray diffraction in this capacity, it has the additional advantage of being element-selective and inherently quantitative. Since the signal observed is a direct reflection of the local environment of the element under smdy, NMR can also provide structural insights on a molecularlevel. Thus, information about coordination numbers, local symmetry, and internuclear bond distances is readily available. This feature is particularly usefrd in the structural analysis of highly disordered, amorphous, and compositionally complex systems, where diffraction techniques and other spectroscopies (IR, Raman, EXAFS) often fail. 

An intensely colored by-product of the photolysis reaction of methyl-2-azidobenzoate has been identified as the first known derivative of 3,3 -diazaheptafulvalene 70 (94LA1165). Its molecular mass was established by elemental analysis and mass spectroscopy as that of a formal nitrene dimer, whereas and NMR studies demonstrated the twofold symmetry as well as the existence of a cross-conjugated 14 7r-electron system in 70. Involving l-azido-2,3-dimethoxy-5,6-dimethoxycarbonylbenzene in thermal decomposition reactions, the azaheptafulvalene 71 could be isolated and characterized spectroscopically and by means of X-ray diffraction. Tliis unusual fulvalene can be regarded as a vinylogous derivative of azafulvalenes (96JHC1333) (Scheme 28). 

Pressure-induced phase transitions in the titanium dioxide system provide an understanding of crystal structure and mineral stability in planets interior and thus are of major geophysical interest. Moderate pressures transform either of the three stable polymorphs into the a-Pb02 (columbite)-type structure, while further pressure increase creates the monoclinic baddeleyite-type structure. Recent high-pressure studies indicate that columbite can be formed only within a limited range of pressures/temperatures, although it is a metastable phase that can be preserved unchanged for years after pressure release Combined Raman spectroscopy and X-ray diffraction studies 6-8,10 ave established that rutile transforms to columbite structure at 10 GPa, while anatase and brookite transform to columbite at approximately 4-5 GPa. 

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