Materials Literature
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Several approximate procedures for the calculation of the intensities of atoms elastically scattered from solids are compared with nearly exact quantum calculations from a sinusoidal hard wall potential. The quasiclassical method reproduces the qualitative features of the ’’rainbow’’ envelope of the scattered intensit…
Abstract Photoinduced free radicals in cellulose were studies by means of ESR spectroscopy. Plausible mechanisms have been suggested for each type of intermediate radical to account for the ESR spectra observed and for the product balances. Based on the principles of photochemistry of cellulose, coupled with the findi…
The thermal expansion of RCo 2 compounds (R=Gd, Tb, Dy, Ho and Er) has been measured from 4.2 K up to 700 K. All the RCo 2 compounds show an Invar-like thermal expansion anomaly below their Curie temperatures: a large positive spontaneous volume magnetostriction was found. The large magneto-volume coupling is presumab…
We investigate the existence of a glass transition for the systems of hard spheres studied in computer simulations of molecular dynamics. An empirical best-fit equation of state is established for the metastable (supercooled or supercompressed) hard sphere liquid. Configurational thermodynamic properties are calculate…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA study of the chemisorption of nitric oxide on PdY zeolite. Evidence for a room temperature oxidative dissolution of palladium crystallitesM. Che, J. F. Dutel, P. Gallezot, and M. PrimetCite this: J. Phys. Chem. 1976, 80, 21, 2371–2381Publication Date (Print):October 1, 197…
A criterion is presented for the stability of the external shape of the crystal in crystal growth from the melt. The criterion takes cognizance of the finding that the constant cross-sectional growth of crystals by a meniscus-controlled process, such as Czochralski, floating-zone, and edge-defined film-fed growth (EFG…
Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML ...Read More
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStereochemical systematics of metal clusters. Crystallographic evidence for a new cubane .dblharw. chair isomerism in tetrameric triphenylphosphine silver iodide, (Ph3P)4Ag4I4Boon-Keng. Teo and Joseph C. CalabreseCite this: Inorg. Chem. 1976, 15, 10, 2474–2486Publication Dat…
Composition depth profiles of passive films on iron in a borate solution at p H 8.42 have been obtained by means of cathodic reduction combined with ellipsometry and chemical analysis. Results revealed that the compositional profile varied depending primarily on the potential and to some degree on the time of film gro…
Abstract An infrared absorbance subtraction technique has been used to “isolate” bands in the composite spectrum of semicrystalline polymers according to their crystalline or amorphous character. Amorphous and crystalline spectra for annealed, melt‐quenched, and solution‐cast poly(ethylene terephthalate) have been sep…
Appearance of satellite lines in the X-ray photoelectron emission from the 2 p -shell of the metal ion transition-metal compounds are ascribed to the increase of covalency due to the creation of an inner-core hole. For this argument a simple two-configuration model is used, which reveals a shortcoming once ab initio c…
A ternary addition in the binary solution of an impurity in a metal can reduce the solubility and enhance the grain-boundary segregation of the impurity. Showing that both phenomena have a common thermodynamic basis makes it possible to predict segregation behaviour in ternary systems with the help of solubility data.…
Self-diffusion coefficients of nitrogen in polycrystalline alpha- and beta-silicon nitride were measured by a gas–solid isotope exchange technique using 15N as a tracer at temperatures in the range 1200–1410°C. The diffusion coefficients for single-crystal grains can be expressed as D (cm2/sec) =1.2×10−12 exp(−55 700/…
Oxygen-rich precipitates in silicon, and the generation of dislocations at the interfaces between the precipitates and the matrix were observed. The precipitates are square-shaped plates with ⟨110⟩ sides and {100} habit planes. Prismatic dislocation loops are generated in silicon by the mechanism of prismatic punching…
Dipolar fluctuations of 4 s and 4 p holes in the elements around Xe have been found to make a one-electron type of picture break down. This explains the failure of monopole relaxation, as included e.g. through the relativistic Hartree-Fock ΔSCF procedure, and shake off processes to describe ESCA spectra in this energy…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructural study and properties of the alkali metal, nitrosyl, and ammonium hepta- and octafluorouranates(VI)R. Bougon, P. Charpin, J. P. Desmoulin, and J. G. MalmCite this: Inorg. Chem. 1976, 15, 10, 2532–2540Publication Date (Print):October 1, 1976Publication History Publi…
The crystal structure of adamite, Znr(AsO.)(OH), has been solved by direct methods and refined by full-matrix least-squares to R : 0.0402 (Rw = 0.0302) using 1472 equi-inclination counter data recorded with graphite-monochromatized MoKa radiation. The structure is orthorhombic, Pnnm(Drrfl) with a : 8.306(4), b = 8.524…
In recent years the physics of amorphous semiconductors has developed into a field so extensive and ramified that it is difficult to review in one paper. Various researchers emphasize different achievements; my choice of these is based on an attempt to give the reader an idea of the breadth of the research—from fundam…
This paper is related to the new stress corrosion cracking phenomenon of mild and low alloy steels in a CO/CO2 environment. The incidents of cracking are described and these were reproduced by laboratory tests. The results obtained are as follows: (1) No stress corrosion cracking of mild steel was found to occur in wa…
Abstract Free‐radical formation in various modifications of celluloses, namely, wood cellulose I, II, III, and IV, rayon cellulose, amorphous cellulose, cotton linters, and absorbent cotton, irradiated with ultraviolet light, has been studied by means of ESR spectroscopy at 77°K. Various types of free radicals were ge…