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Abstract The Hohenberg‐Kohn theorem proves the existence of a universal energy functional. But still its explicit structure is unknown. Unknown parts of the energy functional, namely the kinetic and the exchange interaction energy are discussed. Based on a functional formulation of the virial theorem “functional equat…
The effects of precipitates formed by the addition of vanadium, nitrogen, and aluminium on the strength and toughness in 0·15%C steels were studied by cooling suitable steels at varying rates from temperatures giving a constant austenite grain size. Yield strength increments resulting from precipitation were derived f…
Electronic structures of κ-(BEDT-TTF)4Hg3Cl8 and κ-(DMET)2AuBr2 were examined by performing tight-binding band calculations, and the crystal and electronic properties of the two salts were compared with those of other super conducting and non super conducting κ-phase salts. A possible reason for why κ-(BEDT-TTF)4Hg3Cl…
The effect of perspiration on the fine structure of cotton cellulose has been inves tigated. The degradation of fabrics by acidic perspiration proceeds initially at a slow rate, followed by a faster rate. Tensile strength decreases and yellowing increases. X- ray diffraction studies show that though the effect is main…
Rates of He release from two kinds of simulated high-level radioactive waste glasses were measured in the temperature range from 573 to 753K by a mass spectrometric method. Diffusion coefficients of He in the glasses were determined from the fractional release data. The diffusion coefficients were given as a function…
These simple empirical relationships which allow lattice enthalpies of ionic compounds to be determined readily from observed internuclear separations are investigated here.
Performances of Iodogen-coated surfaces were assessed by measuring kinetics of iodide oxidation with a spectrophotometer. The iodide was effectively oxidized by a surface of high Iodogen concentration. The oxidation rate tended to reach a plateau at 8.45 micrograms cm-2. Increasing the total mass of coating without ch…
Quantum Ising models in transverse magnetic fields are studied for a class of one-dimensional quasiperiodic lattices (the generalized Fibonacci lattices). A unified trace map is obtained, which can be used to determine the energy spectra of quantum Ising models on generalized Fibonacci lattices. It is shown that the e…
Abstract The anomalous temperature dependence of NQR frequencies which is often observed in crystals in which there is reorientational motion of ions or molecules is considered. Two theories of the phenomena, the jump rotation theory and the pseudo-spin theory, are described, and their successes and failures are discu…
Results of static energy calculations using ab initio Gordon-Kim potentials for ABF3 perovskites, where A is an alkali metal ion and B is an alkaline earth metal ion, are presented which demonstrate the role of the relative size of A and B in determining the ground state. Our results point out that the antiperovskite…
We have measured Raman and optical reflectance spectra of the mixed valence gold complex Cs2Au(I)Au(III)Cl6 under pressure. The compound shows two resonant Raman modes peaked at 297 cm−1 and 323 cm−1, which are assigned to stretching vibrations of the bridging chlorines about the gold ions. The 297 cm−1 mode is found…
In the hot dip galvanizing process two different fluxes are used to remove the zinc oxide layer, always present on the liquid zinc surface. When this oxide layer, which contains also aluminium oxide, is dragged into the zinc by the articles, interfering the reaction zinc-iron. In former days a flux floating on a part…
Abstract An interionic potential model is developed for lighter and heavier alkali hydrides and deuterides. The method uses a combination of theoretical techniques, empirical fit, and a few plausible assumptions. An assessment of the derived potentials is made by calculating the lattice statics and dynamics of the cry…
Time evolution of non-equilibrium systems, where the probability density is described by a continuum Fokker-Planck (F-P) equation, is a central area of interest in stochastic processes. In this paper, a numerical solution of a two-dimensional (2-D) F-P equation describing the growth of helium-vacancy clusters (HeVCs)…
Calotropin isolated and characterized from the roots of Calotropis procera when administered to gerbils (25mg/kg b.wt) and rabbits (25mg; kg b.wt) each day for a period of 30 days inhibited the process of spermatogenesis. The population of spermatids was depleted by 65% and 94% in gerbils and rabbits. The seminiferous…
A reflection electron microscope for ultrashort-time imaging of laser-induced processes on surfaces was developed. The instrument is based on a conventional transmission electron microscope modified for high-energy electron reflection, and, in addition, equipped with a laser-pulsed high-brightness electron gun, an int…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and reactions of meso- and dl-D3-trishomocubylidene-D3-trishomocubaneAlan P. Marchand, G. Madhusudhan Reddy, Mahendra N. Deshpande, William H. Watson, Ante Nagl, Oh Seuk Lee, and Eiji OsawaCite this: J. Am. Chem. Soc. 1990, 112, 9, 3521–3529Publication Date (Print)…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBenzoquinone-olefin exciplexes: the observation and chemistry of the p-benzoquinone-tetraphenylallene exciplexKaryln A. Schnapp, R. Marshall Wilson, Douglas M. Ho, Richard A. Caldwell, and David CreedCite this: J. Am. Chem. Soc. 1990, 112, 9, 3700–3702Publication Date (Print…
The investigation of electrode materials based on Li-V 2 O 5 /MoO 3 was performed by V L α soft X-ray emission, V K -absorption, and photoelectron spectroscopies. During the discharge process lithium is inserted into the electrodes accompanied by a surface enrichment of LiO − groups. As the X-ray absorption spectrum o…
Over fifty fuel/cladding compatibility tests on irradiated metallic fuel specimens have been conducted in an in-cell facility at elevated temperatures. At temperatures below 700--725{degree}C, no fuel/cladding interaction was noted in tests up to 7 h. Liquid-phase cladding penetration occurred in some of the tests at…