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1.
We derive an effective single-band Hubbard type Hamiltonian for CuO2 planes. The Hamiltonian includes both electron-electron repulsion and electron-phonon coupling to oxygen vibrational modes. We start with first-principles density functional theory parameters and then map onto a single-band model. Unlike previous mappings to a single-band Hamiltonian, ours explicitly preserves the Fermi surface shape and matrix elements of the many-band Hamiltonian. We consider both in-plane oxygen breathing modes as well as out-of-plane tilting modes. The latter modes have a quadratic electron-phonon coupling, and are also highly anharmonic in La2CuO4 based superconductors. The coupling to breathing modes is too small to account for highT
c, while the coupling to quadratic modes is much stronger even though they would be neglected in a standard Migdal-Eliashberg approach to superconductivity. 相似文献
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Identification of the reasons for failures of process plant machines is the first step in obtaining increased reliability. Weibull analysis of the service life obtained from maintenance records requires a minimum of only five incidents and provides an insight into the failure mechanism. Two examples are given where Weibull analysis of maintenance records helped identify the cause of failure and was instrumental in achieving enhanced reliability of process plant machines. 相似文献
4.
The feasibility of a new alloy design concept utilizing the principle of ‘tungsten bronze effect’ is critically evaluated for the development of metallic bipolar plates for proton exchange membrane fuel cell (PEMFC). An austenitic stainless steel (ASS) is modified with W and La to improve the stability of the passive film in an acidic environment as well as to reduce the contact resistance by the tungsten bronze effect. The experimental ASS containing W and La was evaluated in a simulated PEMFC environment of H3PO4 and H2SO4 solutions at 80 °C, and the electrical property was evaluated by performing a contact resistance test. The test results show that the ASS modified with W and La has good passive film stability for corrosion resistance and low contact resistance. The X-ray photoelectron spectroscopy (XPS) analysis clearly suggests the possibility of the tungsten bronze effect from the change in valency state of W6+ to W5+ in the passive film formed on the modified ASS. The feasibility of a new alloy design concept utilizing the ‘tungsten bronze effect’ is well demonstrated; however, more study is highly required for the development of metallic bipolar plates of PEMFC. 相似文献
5.
Changes in the liquid hold-up, ?, and the diameter of d, of a foam that are induced by perforated plates (PPs) and the contribution of PPs to foam-breaking were studied. A foaming system containing a dilute detergent solution in a column with mechanical agitation fitted with a rotating-disk foam-breaker (MFRD) was used. After the foam passed through the PPs, ? and d decreased and increased, respectively. The use of PPs to achieve a maximum reduction in ? and a maximum increase in d is confirmed. It is also demonstrated that use of PPs contributes not only to improving the foam-breaking performance of the MFRD, but also to power savings. 相似文献
6.
Various molecular docking software packages are available for modeling interactions between small molecules and proteins.However,there have been few reports of modeling the interactions between metal ions and metalloproteins.In this study,the AutoDock package was employed to example docking into a di-iron binding protein,bacterioferritin.Each binding site of this protein was tested for docking with iron ions.Blind docking experiments showed that all docking conformations converged into two clusters,one for internal iron binding in sites within the metalloprotein and the other for external iron binding on the protein surface.Local docking experiments showed that there were significant differences between two internal iron binding sites.Docking at one site gave a reasonable root-mean-square deviation(RMSD) distribution with relatively low binding energy.Analysis of the binding mode quality for this site revealed that more than half of the docking conformations were categorized as having good binding geometry,while no good conformations were found for the other site.Further investigations indicated that coordinating water molecules contributed to the stability of binding geometries.This study provides an empirical approach towards the study of molecular docking in metalloproteins. 相似文献
7.
连铸钢包使用的滑动激光器是控制连铸生产过程的关键设备之一。为了确定501滑板使用中产生裂纹的原因,抑制裂纹形成,提高滑板使用寿命,本文应用有限元法进行了滑板热应力分析,并与生产中使用的滑板比较,有限元分析显示:在滑板材质一定的情况下,滑板形状以及滑板的预紧能力和固定方式是影响滑板使用寿命的基本因素。 相似文献
8.
Exact solutions corresponding to the motions of a second grade fluid, due to the cosine and sine oscillations of an infinite flat plate as well as those induced by an oscillating pressure gradient are determined by means of the Fourier sine transforms. These solutions, presented as sum of the steady-state and transient solutions, satisfy both the governing equations and all associate initial and boundary conditions. In the special case when α1 → 0, they reduce to those for a Navier-Stokes fluid. 相似文献
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10.
介绍电液变阻起动器的结构设计、性能特点、工作原理及系统构成,详细介绍了电液变阻起动过程的可编程控制技术。与其他传统的降压起动方式相比,该系统由于在起动过程中两极板的距离均匀缩短,阻值线性降低,因此电机具有良好的软起动性能。 相似文献