Observation of the fast potential change at L-H transition by a heavy-ion-beam probe on JFT-2M

The fast potential change near the separatrix is measured directly at the L-H transition by a heavy-ion-beam probe. The potential changes with two different time scales at the L-H transition triggered by a sawtooth crash: it drops at first with the time scale of 10--100 mus just after the arrival of the heat pulse due to the sawtooth crash. Then, it decreases again at a few 100 mus after the first drop at a time scale of about 200 mus.     

Study of reduction processes over cerium oxide surfaces with atomic hydrogen using ultra accelerated quantum chemical molecular dynamics

Ceria plays an important role in catalysis, due to its ability to store and release oxygen depending on the condition present in the catalyst environment. To analyze the role of ceria in catalytic reactions, it is necessary to know the details of the interaction of ceria surface with environmentally sensitive molecules. This study was conducted using ultra accelerated quantum chemical molecular dynamics. Its purpose was to investigate the reduction process of the (1 1 1) and (1 1 0) surfaces of ceria with atomic hydrogen as well as water desorption mechanisms from the surfaces. This simulation demonstrated that when a high-energy colliding hydrogen atoms are adsorbed on the ceria, it pulls up an O atom from the ceria surfaces and results in the formation of a H₂O molecule. This is the first dynamics simulation related to such reduction processes based on quantum chemistry.     

Investigation of the relationship between the ionic conductivity and the local structures of singly and doubly doped ceria compounds using EXAFS measurement

The oxide ionic conductivity measurements of singly and doubly doped ceria compounds were carried out. Singly and doubly doped ceria used in this study were Ce_0.8Ln_0.2O_1.9 (Ln=Y, Sm, Nd, or La) and Ce_0.8La_0.1Y_0.1O_1.9, respectively. Lattice constants of these compounds were in proportion to the ionic radius of the dopant(s). The doubly doped ceria compound showed oxide ionic conductivity comparative to the average of that of each corresponding singly doped sample. This finding indicates that the conductivity is influenced by both dopants in the doubly doped compounds. The extended X-ray absorption fine structure (EXAFS) study showed that the coordination number of oxide ions at the nearest neighbor of cation was related to the ionic conductivity. It was found that the conductivity gave the highest value when oxygen vacancies were randomly distributed in the lattice. This indicates that the local structure seriously affects oxide ionic conduction in singly and doubly doped ceria compounds.     

Development of Very-Low-Temperature Millimeter-Wave Electron-Spin-Resonance Measurement System

We report the development of a millimeter-wave electron-spin-resonance (ESR) measurement system at the University of Fukui using a ³He/⁴He dilution refrigerator to reach temperatures below 1 K. The system operates in the frequency range of 125–130 GHz, with a homodyne detection. A nuclear-magnetic-resonance (NMR) measurement system was also developed in this system as the extension for millimeter-wave ESR/NMR double magnetic-resonance (DoMR) experiments. Several types of Fabry–Pérot-type resonators (FPR) have been developed: A piezo actuator attached to an FPR enables an electric tuning of cavity frequency. A flat mirror of an FPR has been fabricated using a gold thin film aiming for DoMR. ESR signal was measured down to 0.09 K. Results of ESR measurements of an organic radical crystal and phosphorous-doped silicon are presented. The NMR signal from ¹H contained in the resonator is also detected successfully as a test for DoMR.     

Multiresolution Approach to Image Reconstruction with Phase-Diversity Technique

A multiresolution analysis is adopted to improve an image reconstruction with a phase-diversity technique. The phase distribution at low resolution is first estimated and then is used as an initial estimate for phase reconstruction at a higher resolution level. Computer simulations are conducted to confirm the proposed method. The method is applied for image reconstruction of solar granulation.     

Density matrix and eigenstates for an excess electron in water

We extend the molecular theory of the solvated electrons [Chandler, Singh and Richardson, J. Chem. Phys. 81, 1975 (1984)] to calculate the density matrix for an excess electron in water. Using this density matrix, the numerically obtained solvent induced interaction [Miura and Hirata, J. Phys. Chem. 98, 9649 (1994)] and our developed method [Sethia, Sanyal and Singh, J. Chem. Phys. 93, 7268 (1990)], we have calculated the eigenstates of the electron in water. These results show that the excees electron in water behaves almost like a free particle with effective mass m* in a constant potential well.     

Effects of high-concentration phosphorus doping on crystal quality and lattice strain in SiGe HBTs

A high-concentration in-situ phosphorus-doping technique for silicon low-temperature epitaxial growth with Si₂H₆ has been developed. Growth temperature has an impact on the crystal quality and on lattice strain of phosphorus-doped silicon layers. Resistivity, micro-Raman spectroscopy, and high-resolution X-ray diffraction indicated that good crystal quality was achieved at a growth temperature of 525 °C. On the other hand, growth pressure has little influence on crystal quality or on lattice strain except for surface morphology. By optimizing epitaxial growth conditions, an extremely high concentration of phosphorous doping was achieved without a high-temperature activation annealing, and the resultant good crystal quality of the phosphorus-doped silicon layer gave a very low resistivity. Accordingly, the high-concentration in-situ phosphorus doping is a powerful technique to fabricate future ultra-high-speed SiGe HBTs.     

Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

The notion of “active sites” is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.