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61.
Alberto Gambi 《Journal of Molecular Spectroscopy》2002,216(2):508-514
The anharmonic force field of difluoromethanimine, F2C NH, has been reinvestigated theoretically using a coupled-cluster singles and doubles approach, augmented for structural optimization and harmonic force field by a contribution of connected triple excitations, CCSD(T). The cubic and quartic force constants have been obtained by numerical derivatives computed from analytical quadratic force constants calculated by second-order Møller-Plesset perturbation theory, MP2. The quadratic force constants and the equilibrium structure of F2C NH have then been scaled by a global least-squares fitting procedure to the spectroscopic data and parameters experimentally determined for this molecule. This force field, obtained in the internal coordinates space and therefore valid for all isotopomers of difluoromethanimine, yields a complete set of spectroscopic molecular constants providing a critical assessment of the experimental rotational and centrifugal distortion constants, fundamentals, overtones, and combination bands determined so far for F2C NH. In addition, the final force field can be used to make predictions of all important vibrational and rotational parameters which should be accurate and useful for new spectroscopic investigations. 相似文献
62.
The growth of Ge and SiGe alloy films on Si substrates has attracted considerable interest in the last years because of their importance for optoelectronic devices as well as Si-based high speed transistors. Here we give a short overview on our recent real time stress measurements of Ge and SiGe alloy films on Si(0 0 1) performed with a sensitive cantilever beam technique and accompanied by structural investigations with atomic force microscopy. Characteristic features in the stress curves provide detailed insight into the development and relief of the misfit strain. For the Stranski–Krastanow system Ge/Si(0 0 1) as well as for SiGe films with Si contents below 20%, the strain relaxation proceeds mainly into two steps: (i) by the formation of 3D islands on top of the Ge wetting layer; (ii) via misfit dislocations in larger 3D islands and upon their percolation. 相似文献
63.
H. Kuramochi J. Okabayashi F. Takano M. Mizuguchi T. Manago H. Akinaga 《Surface science》2004,550(1-3):192-198
Strong magnetic poles at characteristic rectangular defects have been observed using a magnetic force microscope on a MnAs(
1 0 0) thin film with the thickness of 30 nm. The MnAs thin film was epitaxially grown on a GaAs(0 0 1) substrate. The magnetic poles were in one-arranging direction, being independent of the magnetization direction of the film. The poles were pinned at the edges of the rectangular defects until just below the Curie temperature, and formed a stable magnetic-field loop on the MnAs surface. The stability of the magnetic pole pinning shows the distinctive feature of the magnetic domain structure on the surface with a strong anisotropy, which was built in the heterostructure of MnAs and GaAs. 相似文献
64.
We introduce a dynamic force spectroscopy technique enabling the quantitative measurement of conservative and dissipative tip-sample forces in ambient conditions. In difference to the commonly detected force-vs-distance curves dynamic force microscopy allows to measure the full range of tip-sample forces without hysteresis effects caused by a jump-to-contact. The approach is based on the specific behavior of a self-driven cantilever (frequency-modulation technique). Experimental applications on different samples (Fischer-sample, silicon wafer) are presented. 相似文献
65.
The interfacial dynamics‐based cavitation model, developed in Part‐1, is further employed for unsteady flow computations. The pressure‐based operator‐splitting algorithm (PISO) is extended to handle the time‐dependent cavitating flows with particular focus on the coupling of the cavitation and turbulence models, and the large density ratio associated with cavitation. Furthermore, the compressibility effect is important for unsteady cavitating flows because in a water–vapour mixture, depending on the composition, the speed of sound inside the cavity can vary by an order of magnitude. The implications of the issue of the speed of the sound are assessed with alternative modelling approaches. Depending on the geometric confinement of the nozzle, compressibility model and cavitation numbers, either auto‐oscillation or quasi‐steady behaviour is observed. The adverse pressure gradient in the closure region is stronger at the maximum cavity size. One can also observe that the mass transfer process contributes to the cavitation dynamics. Compared to the steady flow computations, the velocity and vapour volume fraction distributions within the cavity are noticeably improved with time‐dependent computations. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
66.
This paper presents the applications of digital image correlation technique to the mesoscopic damage and fracture study of
some granular based composite materials including steelfiber reinforced concrete, sandstone and crystal-polymer composite.
The deformation fields of the composite materials resulted from stress localization were obtained by the correlation computation
of the surface images with loading steps and thus the related damage prediction and fracture parameters were evaluated. The
correlation searching could be performed either directly based on the gray levels of the digital images or from the wavelet
transform (WT) coefficients of the transform spectrum. The latter was developed by the authors and showed higher resolution
and sensitivity to the singularity detection. Because the displacement components came from the rough surfaces of the composite
materials without any coats of gratings or fringes of optical interferometry, both surface profiles and the deformation fields
of the composites were visualized which was helpful to compare each other to analyze the damage of those heterogeneous materials.
The project supported by the National Natural Science Foundation of China (10125211 and 10072002), the Scientific Committee
of Yunnan Province for the Program of Steel Fiber Reinforced Concrete, and the Institute of Chemical Materials, CAEP at Mianyang 相似文献
67.
共轴均匀带电薄圆盘间的相互作用力 总被引:3,自引:0,他引:3
本文利用静电场的高斯定律和环路定律巧妙地求出了均匀带电圆盘在空间任一点所产生的电场 ,进而计算出了共轴均匀带电薄圆盘之间的相互作用力 相似文献
68.
69.
70.
In many Italian archaeological sites dated between the sixth and third centuries BC, unworked lumps of Cu-based materials are sometimes found, the so called Aes Rude, which according to archaeological considerations were appreciated as currency, as a medium of exchange and as a form of saving. The microchemical investigation of these ancient artefacts discloses their nature as apparently not usable for any functional applications or possible use. Indeed, Aes Rude resemble ordinary copper material, but microchemical results indicate that they are constituted by highly ferruginous leaded copper, making them useless for producing other metal objects by means of casting or hot and cold working. Notwithstanding this intrinsic negative feature, the production of these intractable Cu-based alloys was deliberately carried out to maximise the process yield in terms of produced metal from an impure and unselected metal ore by tailoring the smelting process parameters. With these considerations in mind, the microchemical investigation of these ancient iron–copper alloys gives evidence of the passage from the acceptance of an artefact value based on its true nature or potential use to the acceptance of the value based only on its appearance or form irrespective of its present or future use. This information could contribute to a better understanding of the evolution of human thought and economic and social interactions. 相似文献