Evaporation processes of water molecules from graphene edge: DFT and MD study

The evaporation processes of water molecules adsorbed in the edge region of graphene have been investigated by means of direct MO–MD method. A large system composed of 29 water molecules and a graphene sheet (C₉₆H₂₄) was used as a model system. The edge carbon atom of graphene was terminated by hydrogen atom. The geometry optimization showed that the water molecules interact with the hydrogen atoms in the edge region of graphene. At low temperature (300 K), the water molecules were dissociated as water clusters from the graphene. On the other hand, in addition to the dissociation of water clusters, the isolated water molecule was also found as dissociation product at high temperature (500 K). The mechanism of water evaporation was discussed on the basis of theoretical results.     

Application of nuclear energy for environmentally friendly hydrogen generation

It is universally admitted that hydrogen is one of the best energy media and its demand will increase greatly in the near future. However, little hydrogen exists naturally, so that how to generate hydrogen without bringing forth much CO₂${}_2$ will be very important research subject. Hydrogen generation from water using nuclear energy is one of the solutions for this problem. Especially, the high temperature gas cooled reactor (HTGR) has a possibility to generate hydrogen economically compared with other types of nuclear reactors. As for long-lived radioactive waste to be generated by nuclear reactors, it is expected to significantly reduce its burden to the human environment by applying transmutation technologies. This report describes the feature of the hydrogen generation with HTGR and the development of the accelerator-driven subcritical system to reduce radioactive waste ongoing at JAEA.     

The Direct Spectroscopy of Positronium Hyperfine Structure Using a Sub-THz Gyrotron

Positronium is an ideal system for research on Quantum Electrodynamics (QED), especially in a bound state. A discrepancy of 3.9 standard deviations has been found between the measured hyperfine structure (Ps-HFS) and the QED predictions. This may be due to the contribution of unknown new physics or common systematic effects in previous measurements, in all of which the Zeeman effect was used. We propose a new method to directly measure the Ps-HFS using a high power gyrotron. We compare two resonators which have been developed to supply sufficient power to drive the direct transition, a Fabry-Pérot resonator and a ring resonator with a diffraction grating. We plan to perform first direct measurement of Ps-HFS within the next six months.     

Comparison of the SiH4---C2H4 and SiH2Cl2---C2H4 systems during the synthesis of silicon carbide ultrafine particles by laser-induced gas-phase reaction

The synthesis conditions of SiC ultrafine particles from SiH₄ and C₂H₄ using a CO₂ laser were studied and a comparison was made between SiH₄---C₂H₄ and SiH₂Cl₂---C₂H₄ systems. Ultrafine SiC particles were synthesized by irradiating a SiH₄ and C₂H₄ gas mixture with a CO₂ laser at atmospheric pressure. SiC particles were obtained at a laser power of more than 0·92 kW/cm².

The behavior of the reaction flame temperature and the extent of the laser light absorption by SiH₄---C₂H₄ was different from that of SiH₂Cl₂---C₂H₄, although an abrupt temperature increase was observed in both cases. In the case of SiH₄---C₂H₄ an abrupt increase in the laser light absorption was not observed, whilst it was observed in the case of SiH₂Cl₂---C₂H₄. This difference resulted from the difference in liability to form solid carbon particles.     

A Quick Rendering Method Using Basis Functions for Interactive Lighting Design

When designing interior lighting effects, it is desirable to compare a variety of lighting designs involving different lighting devices and directions of light. It is, however, time-consuming to generate images with many different lighting parameters, taking interreflection into account, because all luminances must be calculated and recalculated. This makes it difficult to design lighting effects interactively. To address this problem, this paper proposes a method of quickly generating images of a given scene illustrating an interreflective environment illuminated by sources with arbitrary luminous intensity distributions. In the proposed method, the luminous intensity ditribution is expressed with basis functions. The proposed method uses a series of spherical harmonic functions as basis functions, and calculates in advance each intensity on surfaces lit by the light sources whose luminous intensity distribution are the same as the spherical harmonic functions. The proposed method makes it possible to generate images so quickly that we can change the luminous intensity distribution interactively. Combining the proposed method with an interactive walk-through that employs intensity mapping, an interactive system for lighting design is implemented. The usefulness of the proposed method is demonstrated by its application to interactive lighting design, where many images are generated by altering lighting devices and/or direction of light.     

Feature extraction of one‐step‐ahead daily maximum load with regression tree

In this paper, a new efficient feature extraction method is proposed to handle the one‐step‐ahead daily maximum load forecasting. In recent years, power systems become more complicated under the deregulated and competitive environment. As a result, it is not easy to understand the cause and effect of short‐term load forecasting with a bunch of data. This paper analyzes load data from the standpoint of data mining. By it we mean a technique that finds out rules or knowledge through large database. As a data mining method for load forecasting, this paper focuses on the regression tree that handles continuous variables and expresses a knowledge rule as if‐then rules. Investigating the variable importance of the regression tree gives information on the transition of the load forecasting models. This paper proposes a feature extraction method for examining the variable importance. The proposed method allows to classify the transition of the variable importance through actual data. © 2006 Wiley Periodicals, Inc. Electr Eng Jpn, 156(2): 43–51, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/eej.20104     

A Modeling and Rendering Method for Snow by Using Metaballs

The display of natural scenes such as mountains, trees, the earth as viewed from space, the sea, and waves have been attempted. Here a method to realistically display snow is proposed. In order to achieve this, two important elements have to be considered, namely the shape and shading model of snow, based on the physical phenomenon. In this paper, a method for displaying snow fallen onto objects, including curved surfaces and snow scattered by objects, such as skis, is proposed. Snow should be treated as particles with a density distribution since it consists of water particles, ice particles, and air molecules. In order to express the material property of snow, the phase functions of the particles must be taken into account, and it is well-known that the color of snow is white because of the multiple scattering of light. This paper describes a calculation method for light scattering due to snow particles taking into account both multiple scattering and sky light, and the modeling of snow.     

Nanoscale molecular cavity in crystalline polymer membranes studied by molecular dynamics simulation

The size, shape, and connectivity of cavities in the crystals of syndiotactic polystyrene were investigated by molecular dynamics simulation. Cluster analysis of the free volume in the crystals clearly reveals the cavity structures: large individual holes are in an orderly manner connected by narrow channels. We call such a cavity structure a ‘molecular cavity’. The diffusion behavior and solubility of gases in the molecular cavity were also simulated. The extremely high solubility of a larger gas and the controllable diffusion path in the narrow channels proved the applicability of the concept of the molecular cavity to high performance separation membranes.     

Method for Calculation of Sky Light Luminance Aiming at an Interactive Architectural Design

Recently, computer graphics are frequently used for both architectural design and visual environmental assessment. Using computer graphics, designers can easily compare the effect of the natural light on their architectural designs under various conditions, such as different times of day, seasons, atmospheric conditions (clear or overcast sky) or building wall materials. In traditional methods of calculating the luminance due to sky light, however, all calculation must be performed from scratch if such conditions undergo change. Therefore, to compare the architectural designs under different conditions, a great deal of time has to be spent on generating the images. This paper proposes a new method of quickly generating images of an outdoor scene, taking into account glossy specular reflection, even if such conditions change. In this method, luminance due to sky light is expressed by a series of basis functions, and basis luminances corresponding to each basis function are precalculated and stored in a compressed form in the preprocess. Once the basis luminances are calculated, the luminance due to sky light can be quickly calculated by the weighted sum of the basis luminances. Several examples of an architectural design demonstrate the usefulness of the proposed method.     

Skylight for Interior Lighting Design

It is inevitable for indoor lighting design to render a room lit by natural light, especially for an atelier or an indoor pool where there are many windows. This paper proposes a method for calculating the illuminance due to natural light, i.e. direct sunlight and skylight, passing through transparent planes such as window glass. The proposed method makes it possible to efficiently calculate such illuminance accurately, because it takes into account both non-uniform luminous intensity distribution of skylight and the distribution of transparency of glass according to incident angles of light. Several examples including the lighting design in an indoor pool, are shown to demonstrate the usefulness of the proposed method.