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301.
B. Champagnon C. Martinet M. Boudeulle D. Vouagner C. Coussa T. Deschamps L. Grosvalet 《Journal of Non》2008,354(2-9):569-573
Normal silica glass is usually referred to as low density amorphous silica as it can be converted to high density amorphous silica by a hydrostatic pressure (polyamorphic transition). In this work in situ Raman experiments are performed in a diamond anvil cell up to 18 GPa. The pressure effects on the structure of silica after successive compression decompression experiments are analyzed. The mode Grüneisen parameters corresponding to the elastic compression of high density amorphous silica are obtained and compared with those of normal silica. A reorganization of the high density amorphous silica below 3 GPa is evidenced. 相似文献
302.
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
303.
304.
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
305.
Elastic rod models provide a means to interpret single molecule DNA experiments as well as predict DNA behavior under physiological conditions. Here we use an elastic rod model to predict the stability boundary (critical torque vs. applied tension) for single molecule DNA experiments in which the molecule is subjected to applied tension and twist. We discuss the shortcomings of the usual isotropic rod model. We then derive a consistent non-linear material law from the general representation for a hemitropic (chiral) rod. Finally, we present results of a standard bifurcation analysis predicting the stability boundary. We find results from the non-linear hemitropic rod to match the data closely. 相似文献
306.
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
307.
Bikshandarkoil R. Srinivasan 《Journal of Chemical Sciences》2004,116(5):251-259
The complexes [MoX4]2− (M = Mo; X = O or S) exist as the monomeric tetrahedral species in aqueous alkaline solutions. Acidification of tetraoxomolybdate
results in the condensation of the tetrahedral units via a series of polyoxomolybdates leading to the ultimate formation of
the trioxide MoO3. Heptamolybdate [Mo7O24]6− is the first major polyanion of the acidification reaction. In contrast, acidification of tetrathiomolybdates leads to the
formation of amorphous molybdenum trisulphide via a dinuclear Mo(V) complex. The formation of the dinuclear Mo(V) complex
precludes the formation of any higher nuclearity Mo(VI)-S complexes in aqueous solution. Thus it is shown that the all-sulphur
analogue of heptamolybdate [M07S24]6− does not exist in alkaline medium and also cannot be isolated from aqueous acidic medium 相似文献
308.
This paper presents an operator‐splitting method (OSM) for the solution of the universal Reynolds equation. Jakobsson–Floberg–Olsson (JFO) pressure conditions are used to study cavitation in liquid‐lubricated journal bearings. The shear flow component of the oil film is first solved by a modified upwind finite difference method. The solution of the pressure gradient flow component is computed by the Galerkin finite element method. Present OSM solutions for slider bearings are in good agreement with available analytical and experimental results. OSM is then applied to herringbone grooved journal bearings. The film pressure, cavitation areas, load capacity and attitude angle are obtained with JFO pressure conditions. The calculated load capacities are in agreement with available experimental data. However, a detailed comparison of the present results with those predicted using Reynolds pressure conditions shows some differences. The numerical results showed that the load capacity and the critical mass of the journal (linear stability indicator) are higher and the attitude angle is lower than those predicted by Reynolds pressure conditions for cases of high eccentricities. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
309.
In order to study cross flow induced vibration of heat exchanger tube bundles, a new fluid–structure interaction model based on surface vorticity method is proposed. With this model, the vibration of a flexible cylinder is simulated at Re=2.67 × 104, the computational results of the cylinder response, the fluid force, the vibration frequency, and the vorticity map are presented. The numerical results reproduce the amplitude‐limiting and non‐linear (lock‐in) characteristics of flow‐induced vibration. The maximum vibration amplitude as well as its corresponding lock‐in frequency is in good agreement with experimental results. The amplitude of vibration can be as high as 0.88D for the case investigated. As vibration amplitude increases, the amplitude of the lift force also increases. With enhancement of vibration amplitude, the vortex pattern in the near wake changes significantly. This fluid–structure interaction model is further applied to simulate flow‐induced vibration of two tandem cylinders and two side‐by‐side cylinders at similar Reynolds number. Promising and reasonable results and predictions are obtained. It is hopeful that with this relatively simple and computer time saving method, flow induced vibration of a large number of flexible tube bundles can be successfully simulated. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
310.
Model based online diagnosis of unbalance and transverse fatigue crack in rotor systems 总被引:7,自引:0,他引:7
A model based technique for online identification of malfunctions in rotor systems is discussed. Presence of fault changes the dynamic behavior of the system. This change is taken into account by equivalent loads acting on the undamaged system model. Equivalent loads are fictitious forces and moments acting on the undamaged system model, which generate a dynamic behavior identical to that of the real damaged system. The mathematical representation of equivalent loads is referred to as Fault Model. The work focuses on developing a fault model for a transverse fatigue crack in shaft and testing it through simulated studies. The basic principle of the technique is validated for unbalance identification, through numerical simulations as well as by experiments on a real rotor system. 相似文献