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991.
Recently, Miracle proposed that the intermediate structure in metallic glasses could be usefully characterized as an ordered face centered cubic packing of solute-centered coordination clusters. In this paper we examine the stability of such solute ordered arrangements in binary hard sphere mixtures subject to density maximization through local particle moves. 相似文献
992.
993.
A theoretical approach was made to find out a complete fluorine incorporation zone on a ternary diagram which serves as a useful graphical representation to select the flows of the supplied reagents for incorporation of the suitable amount of fluorine into cladding glass of optical fiber preform made by the MCVD process using CCl2F2 as a source of fluorine under oxygen abundance, oxygen deficiency and intermediate oxygen state conditions. The possible mechanism for incorporation of fluorine into cladding glass of optical fiber is also evaluated on the basis of the thermodynamical data. The fluorine incorporation mechanism in silica glass by the MCVD process is found to be dependent on the CCl2F2/SiCl4 ratio in the input gas mixture. Fluorine doping is found to be effective for removing the strained Si–O–Si bonds, which govern the optical transparency in deep ultra-violet (DUV) and vacuum ultra-violet (VUV) regions. The maximum refractive index depression of ?0.5 × 10?3 is obtained with incorporation of fluorine into silica cladding glass by the MCVD process using CCl2F2 as a dopant precursor with suitable flow of SiCl4 vapor along with O2 through backward deposition pass. The structure of fluorine doped silica glass preform samples containing 1.70–1.79 mol% fluorine incorporated by the MCVD process based on the analyses of 19F MAS spectra done by high-resolution 19F NMR spectroscopy reveal the presence of two distinct types of fluorine environments. The majority of the fluorine environments are formed in SiO1.5F polyhedral and less abundant species is observed to be highly unusual, yielding a fivefold coordinated silicon of the type SiO2F polyhedral which become increased with increasing the fluorine content. 相似文献
994.
Specific features of the formation of submicron (70–300 nm) inclusions in Ti:sapphire (Al2O3:Ti) grown in a carbon-containing medium have been investigated. These inclusions are caused by deviation from the melt stoichiometry and are formed during the melt-crystal phase transition. These defects are submicropores containing excess aluminum and its suboxides; they can be destroyed by thermal loading of a crystal. 相似文献
995.
F. Mattioni P.M. Weaver K.D. Potter M.I. Friswell 《International Journal of Solids and Structures》2008,45(2):657-675
This paper models the non-linear flexural response of laminates that have piecewise variation of lay-up in the planform, using finite element analysis. Attention is focused on the effects that thermal stresses have on the potential multiple shapes of a composite structure. Unsymmetric laminates may possess more than a single equilibrium configuration, and during the cool-down the solution thus bifurcates at a critical temperature. In static analyses, numerical solutions are often coaxed to converge into one or the other branch of the solution. A methodology to overcome this problem is presented. Such modelling is necessary to allow application of multistable composite within morphing aircraft structures as multistable composites could provide a viable solution for the realisation of shape-adaptable structures. 相似文献
996.
C. Sun M.D. Thouless A.M. Waas J.A. Schroeder P.D. Zavattieri 《International Journal of Solids and Structures》2008,45(17):4725-4738
To enable the effective and reliable use of structural adhesive bonding in automotive applications, the cohesive properties of a joint need to be determined over a wide range of loading rates. In this paper, a strategy for determining these properties has been described and used to analyze a set of experimental results presented in a companion paper. In the particular system studied, a crack growing in a toughened quasi-static mode could make a catastrophic transition to a brittle mode of fracture. The cohesive parameters for both the toughened and brittle modes of crack growth were determined by comparing numerical predictions from cohesive-zone simulations to the results of experimental tests performed using double-cantilever beam specimens and tensile tests. The cohesive parameters were found to be essentially rate-independent for the toughened mode, but the toughness dropped by a factor of four upon a transition to the brittle mode. The results of wedge tests were used as an independent verification of the cohesive parameters, and to verify that the quasi-static properties remained rate-independent to very high crack velocities corresponding to conditions of low-velocity impact. The effects of friction, and the use of the wedge test to determine cohesive parameters, were also explored. 相似文献
997.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex
[MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with
release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of
the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008. 相似文献
998.
The reaction of 1-chloromethylsilatrane with sodium amide in benzene is accompanied by ring expansion with formation of 1-amino-2-carba-3-oxahomosilatrane. 相似文献
999.
The thermal decomposition of formaldehyde was investigated behind shock waves at temperatures between 1675 and 2080 K. Quantitative concentration time profiles of formaldehyde and formyl radicals were measured by means of sensitive 174 nm VUV absorption (CH2O) and 614 nm FM spectroscopy (HCO), respectively. The rate constant of the radical forming channel (1a), CH2O + M → HCO + H + M, of the unimolecular decomposition of formaldehyde in argon was measured at temperatures from 1675 to 2080 K at an average total pressure of 1.2 bar, k1a = 5.0 × 1015 exp(‐308 kJ mol?1/RT) cm3 mol?1 s?1. The pressure dependence, the rate of the competing molecular channel (1b), CH2O + M → H2 + CO + M, and the branching fraction β = k1a/(kA1a + k1b) was characterized by a two‐channel RRKM/master equation analysis. With channel (1b) being the main channel at low pressures, the branching fraction was found to switch from channel (1b) to channel (1a) at moderate pressures of 1–50 bar. Taking advantage of the results of two preceding publications, a decomposition mechanism with six reactions is recommended, which was validated by measured formyl radical profiles and numerous literature experimental observations. The mechanism is capable of a reliable prediction of almost all formaldehyde pyrolysis literature data, including CH2O, CO, and H atom measurements at temperatures of 1200–3200 K, with mixtures of 7 ppm to 5% formaldehyde, and pressures up to 15 bar. Some evidence was found for a self‐reaction of two CH2O molecules. At high initial CH2O mole fractions the reverse of reaction (6), CH2OH + HCO ? CH2O + CH2O becomes noticeable. The rate of the forward reaction was roughly measured to be k6 = 1.5 × 1013 cm3 mol?1 s?1. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 157–169 2004 相似文献