Quantum Effects on Hydrogen Isotopes Adsorption in Nanopores

We have investigated the applicability of simulations and theoretical techniques for exploring the selectivities of hydrogen isotopes. We have simulated the adsorption isotherms of H₂ in an idealized carbon slit pore at 77 K by using the grand canonical Monte Carlo simulations with the Feynman-Hibbs effective potential (FH-GCMC) and the rigorous path integral method (PI-GCMC), and we obtained good agreement between the isotherms from both simulations. This suggests that FH-GCMC, which uses the approximative Feynman-Hibbs treatment, is as useful as PI-GCMC for exploring H₂ adsorption at 77 K. Moreover, we show that the ideal adsorption solution theory (IAST) can predict the selectivity of D₂ over H₂ in the interstices of single-wall carbon nanotube (SWNT) bundles at 77 K (below 0.1 MPa) very well by comparing the obtained results with the mixture adsorption FH-GCMC simulations. This indicates that IAST is also applicable to the estimation of the selectivity of D₂ over H₂ at moderate pressures and at 77 K from experimental single-component adsorption isotherms. We also demonstrate that the FH-GCMC simulation can reproduce the experimental adsorption isotherms of H₂ and D₂ in aluminophosphate AlPO₄-5 at 77 K. Finally, we analyze the selectivity of D₂ over H₂ by IAST with the experimental single-component adsorption isotherms of H₂ and D₂ at 77 K for a variety of adsorbents: AlPO₄-5, activated carbon fibers (ACFs), HiPco SWNT, and SWNHs. The selectivities predicted by the experimental adsorption data based on the results from the FH-GCMC simulations are presented and discussed.     

An efficient hybrid conventional method to fabricate nacre-like bulk nano-laminar composites

Bulk nano-laminar composites were fabricated by a novel technique called Hot-press Assisted Slip Casting (HASC) which combines hot-pressing and slip-casting to improve alignment and volume fraction of the reinforcement. Alumina flakes were used as filler in an epoxy matrix. Microstructure of composites and alignment of flakes were characterized by Scanning Electron Microscope (SEM). Three point bending test and Vickers hardness test were done for mechanical characterization of composites. Flexural tests on Chevron-notched specimens revealed a high work-of-fracture in the case of the fabricated composites reaching to 254 J/m². Fracture surface of three point bending samples were examined by SEM. Main fracture mechanism is debonding of flakes from the matrix. With its high volume fraction (60%) of reinforcement phase and high degree of flake alignment, a nacre-like microstructure was achieved with a relatively efficient, cost effective and simple hybrid conventional method.     

A PAM control method for a matrix converter based on a virtual AC/DC/AC conversion method

In this paper, a novel control method for a matrix converter is proposed. The proposed method is a PAM (Pulse Amplitude Modulation) control method based on a virtual AC/DC/AC conversion method. Output voltage amplitude is controlled by controlling a virtual DC link voltage with a virtual rectifier. Output frequency is controlled by a virtual inverter. First, the proposed method is explained. Next, the validity of the proposed method is confirmed through simulation and experiment using a 750‐W prototype matrix converter. Moreover, various characteristics of the proposed method and conventional virtual AC/DC/AC method are compared through experiment. As a result of the experiment, it has been understood that total harmonic distortion of output current and common‐mode voltage can be reduced compared with the case of using a conventional virtual AC/DC/AC conversion method. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 166(4): 88–96, 2009; Published online in Wiley InterScience ( www.interscience. wiley.com ). DOI 10.1002/eej.20601     

Imaging of a single atomic column in silicon grain boundary

Atomic resolution high voltage electron microscopy was applied in investigations of the atomic structure of [112] sigma3 CSL grain boundary of silicon. Images of the grain boundary, viewed in the < 110 > direction, showed two types of dark spots. One type was rod shaped, which represented an atomic pair aligned in the < 111 > direction. The other was a small round spot, which represented a single atomic column in the grain boundary. The atomic structure of [112] sigma3 CSL grain boundary was directly shown from the atomic-structure image.     

Electrochemical removal of p-nonylphenol from dilute solutions using a carbon fiber anode

p-Nonylphenol, which is widely used as raw material in industrial activities has been regarded as an environmental endocrine disrupter. In an effort to develop a new treatment method for p-nonylphenol, we initially investigated the electrochemical behavior of p-nonylphenol by voltammetric techniques. The electrochemical oxidation of p-nonylphenol led to the formation of electropolymerized film on the glassy carbon electrode surface. The fouling on the electrode surface by the electropolymerized film was evaluated by monitoring the electrode response of ferrocyanide ions as the redox marker. The electrochemical removal of p-nonylphenol based on the formation of the electropolymerized film on an anode surface was performed using a carbon fiber (CF) with a very large surface area. The high removal efficiency for p-nonylphenol was obtained by applying a potential at 0.7 V. The maximum surface coverage of electropolymerized p-nonylphenol on the CF was about 5 x 10(-9) mol/cm2. The presence of humic acid hardly inhibited the removal of p-nonylphenol. Furthermore, the application to the removal of phenol, o-chlorophenol, p-chlorophenol, 2,4-dichlorophenol, and 2,4,5-trichlorophenol was attempted by using this method.     

Molecular dynamics simulation of 〈<Emphasis Type="Bold">c</Emphasis>+<Emphasis Type="Bold">a</Emphasis>〉 dislocation core structure in hexagonal-close-packed metals

The core structures of 〈c+a〉 dislocations in hexagonal-close-packed (hcp) metals have been investigated by molecular dynamics (MD) simulation using a Lennard-Jones-type pair potential. The 〈c + a〉 edge dislocation has two types of core at 0 K; one is a perfect dislocation (type A), and the other has two 1/2 〈c+a〉 partials (type B). Type A transforms to type B by abruptly increasing temperature from 0 K to 293 K, while type B is stable in temperature range from 0 K to 293 K. In contrast, type A extends parallel to (0001) at 30 K, and this extended core is still stable at 293 K. These results suggest that the 〈c+a〉 edge dislocation glides on the {11 2} as two 1/2 〈c+a〉 partial dislocations and becomes sessile due to changes of the core structure. The 〈c+a〉 screw dislocation spreads over two {10 1} planes at 0 K. The core transforms into a unsymmetrical structure at 293 K, which is spread over {11 2} and {10 1}, and core spreading occurs parallel to {11 2} at 1000 K. A critical strain to move screw dislocations depends on the sense of shear strain. The dependence of the yield stress on the shear direction can be explained in terms of these core structures. This article is based on a presentation made in the symposium entitled “Defect Properties and Mechanical Behavior of HCP Metals and Alloys” at the TMS Annual Meeting, February 11–15, 2001, in New Orleans, Louisiana, under the auspices of the following ASM committees: Materials Science Critical Technology Sector, Structural Materials Division, Electronic, Magnetic & Photonic Materials Division, Chemistry & Physics of Materials Committee, Joint Nuclear Materials Committee, and Titanium Committee.     

A Novel Approach to the Polaronic Metallic State of Cuprate Superconductors and the d-Wave Pairing Mechanism

The present novel approach consists of two stages: in the first stage the many-electron states of a CuO₆ octahedron or a CuO₅ pyramid are calculated by the first-principles variational method, by taking into account the local distortions of a CuO₆ octahedron or a CuO₅ pyramid. In the second stage a metallic state is constructed in the presence of the local AF ordering constructed by the localized spins. In this metallic state the local distortions are treated in the mean field approximation, so that a pseudopolaronic effect is taken into account. Based on this approach, the hole-concentration dependence of T _c and the isotope effect are calculated for LSCO, and compared with experimental results. This approach leads to d-wave pairing mechanism.     

Simultaneous three-dimensional step-height measurement and high-resolution tomographic imaging with a spectral interferometric microscope

A noncontact, nonmechanical scanning, wide-field spectral interference microscope is developed for simultaneous measurement of three-dimensional step-height of discontinuous objects and tomographic imaging. A superluminescent diode (SLD) is used as a broadband light source and a liquid-crystal Fabry-Perot interferometer (LC-FPI) as a frequency-scanning device. By means of changing the injection current to the SLD, the spectral profile of the SLD is equalized, and a constant light input to the interferometer is achieved over the entire frequency-scan range. The Fourier-transform technique is used to determine both the amplitude and the phase of spectral fringe signals. Three-dimensional height distribution of a discontinuous object is obtained from the phase information, whereas optically sectioned images of the object are obtained either from the amplitude information alone or from the combination of both the amplitude and phase information. Experimental results with submicrometer resolution are presented for both step-height measurement and tomographic sectioning.     

基于长度的扩展方法的汉英句子对齐

本文提出了一种用于汉英平行语料库对齐的扩展方法。该扩展方法以基于长度的统计对齐方法为主,然后根据双语词典引入了词汇信息,而基于标点的方法作为对齐的后处理部分。这种扩展方法不仅避免了复杂的中文处理,例如,汉语分词和词性标注,而且在统计方法中引入了关键词信息,以提高句子对齐的正确率。本文中所用的双语语料是LDC 的关于香港的双语新闻报道。动态规划算法用于系统的实现。和单纯的基于长度的方法和词汇方法相比,我们的扩展方法提高了句子对齐的正确率,并且结果是比较理想的。