Breakdown of oil films and formation of residual films

The breakdown processes of oil films under quasi-static loading have been investigated by using a newly developed steel-oil-mercury system. The relationship between the thickness and breakdown ratio of a hexadecane film is represented by a single master curve independently of the indentation speed, indentation load, and temperature. The master curve shows that the breakdown process of hexadecane includes two stages; one is the decrement of the thickness without breakdown and the other is the decrement of the thickness with a drastic progress of breakdown. By solving a small amount of fatty acid in hexadecane, the thickness increases and the breakdown ratio decreases noticeably; a multilayer residual film supporting normal load is formed between two metal surfaces. Experiments at different temperatures reveal a negative relationship between the temperature and thickness of residual film, which indicates that the residual film is organized by physical interaction rather than chemical interaction. At least under a lower concentration, the residual film appears to consist of not only fatty acid molecules but also hexadecane molecules.     

Design of one-dimensional ferromagnet based on polyacetylene chain

As a model for organic ferromagnetism in a one-dimensional system, substituted polyacetylenes are re-considered on the basis of the molecular orbital (MO) and the crystal orbital (CO) methods. The semiempirical MO calculations with configuration interaction for the dimer model show that the exchange interaction on poly[(4-oxyphenyl)acetylene] (1) is negative in spite of Ovchinnikov's prediction, due to the direct interaction between the adjacent pendant spins. On the other hand, it is shown that a polyacetylene chain with phenoxy radicals as pendants on every other active site can become a one-dimensional feromagnet. Moreover, the CO calculations by means of the unrestricted Hartree-Fock method give a theoretical background for the realization of a ground state with macroscopic spin alignment on the improved model chain.     

Rutile-type TiO2 thin film for high-k gate insulator

We investigated rutile-type titanium dioxide (TiO₂) films for possible use as a high-k gate insulator. The TiO₂ thin films were directly deposited on Si substrates using a RF magnetron sputtering method with a sintered oxide target. A single phase of rutile-type TiO₂ whose dielectric constant of approximately 75 was obtained when the film was deposited in an inert gas atmosphere and annealed at 800 °C in an oxidizing gas atmosphere. The oxygen ions were deficient in the as-deposited film, and consequently, a sufficient oxygen supply was needed to crystallize the film to a single phase of rutile during the post-annealing. However, the interfacial SiO₂ layer between the TiO₂ and the Si substrate simultaneously grew thicker than 2 nm. As the interfacial SiO₂ grew, the leakage current was decreased and the equivalent oxide thickness was increased, in the Au/rutile-type TiO₂/Si capacitor. Therefore, we concluded that the growth of the interfacial SiO₂ layer thicker than 2 nm is inevitable to form the single phase of rutile-type TiO₂ and to decrease the leakage.     

Neutronic and thermodynamic feasibility of UF6-NpF6 fueled transmutation reactor

Transmutation of neptunium, which is contained in radioactive wastes discharged from nuclear reactors, was investigated as a substitutional method for geologic disposal. We proposed a transmutation reactor fueled with a mixture of gaseous ²³³UF₆ and ²³⁷NpF₆. Neutronic and thermodynamic analysis of the reactor revealed the feasibility of the concept. The reactor has two principal advantages: (1) use of the fuel gas enables on-line reprocessing, (2) ²³⁷Np can be transmuted by a high neutron flux. Our calculation indicated that the transmutation rate of ²³⁷Np was 335 g/year/MW_th, which is much larger than the annual yield of ²³²Np in PWR (6.19 g/year/MW_th).     

NiCoFe/C cathode electrocatalysts for direct ethanol fuel cells

A direct ethanol fuel cell (DEFC), which is less prone to ethanol crossover, is reported. The cell consists of PtRu/C catalyst as the anode, Nafion^® 117 membrane, and Ni–Co–Fe (NCF) composite catalyst as the cathode. The NCF catalyst was synthesized by mixing Ni, Co, and Fe complexes into a polymer matrix (melamine-formaldehyde resins), followed by heating the mixture at 800 °C under inert atmosphere. TEM and EDX experiments suggest that the NCF catalyst has alloy structures of Ni, Co and Fe. The catalytic activity of the NCF catalyst for the oxygen reduction reaction (ORR) was compared with that of commercially available Pt/C (CAP) catalyst at different ethanol concentrations. The decrease in open circuit voltage (V_oc) of the DEFC equipped with the NCF catalysts was less than that of CAP catalyst at higher ethanol concentrations. The NCF catalyst was less prone to ethanol oxidation at cathode even when ethanol crossover occurred through the Nafion^®117 film, which prevents voltage drop at the cathode. However, the CAP catalyst did oxidize ethanol at the cathode and caused a decrease in voltage at higher ethanol concentrations.     

Effects of Digital Doping of Mn on Giant Magneto-Optical Properties of Zn1−x Mn x Se Quantum Wells

We have studied effects of the digital-doping profile of MnSe layers on the giant magneto-optical properties in Zn_1?x Mn _x Se-based quantum wells. The giant Zeeman shift energy increases monotonically with increasing spatial overlap of the exciton wavefunction with the 0.5 monatomic-thick effective Mn layers at the interfaces between the digitally doped MnSe layers and nonmagnetic ZnSe layers. Also, a field-induced enhancement factor of the excitonic photoluminescence intensity, because of the suppression of the exciton energy transfer into the d-d transition of Mn-ions, increases linearly with increasing such overlap of the exciton wavefunction with the effective Mn layer. In addition, the formation energy as large as 18.6 meV and the formation time of the magnetic polaron are determined, which are also affected by the digital-doping profile.     

IAEA activities on Mmall and Medium Reactors: Harmonization of energy demand and supply in developing countries

Small and Medium Reactors (SMRs) are attractive in developing countries because of their unique features such as: better suitability for smaller electric grids, lower investment cost, smaller components and equipment to facilitate modularization, etc. Furthermore, other factors induced by SMR implementation, such as technical transfer promotion, domestic infrastructure improvement, stabilization of energy cost, and environmental protection put SMRs into a more favorable position. From the nuclear plant suppliers, many SMR designs are available for a wide range of applications. A questionnaire study, which the IAEA conducted in 1996, confirmed that several countries are interested in SMRs and that some SMRs are already in the detailed design stage. A projection shows that the total nuclear capacity would increase in all regions that consist mainly of developing countries in the near future. For a timely and broad implementation of SMRs, information exchange and cooperation are indispensable between nuclear suppliers and buyers. The IAEA continues to play a role in encouraging and assisting development and practical application of SMRs for harmonization of energy demand and supply in developing countries.     

An adaptive hybrid surrogate model

The determination of complex underlying relationships between system parameters from simulated and/or recorded data requires advanced interpolating functions, also known as surrogates. The development of surrogates for such complex relationships often requires the modeling of high dimensional and non-smooth functions using limited information. To this end, the hybrid surrogate modeling paradigm, where different surrogate models are combined, offers an effective solution. In this paper, we develop a new high fidelity surrogate modeling technique that we call the Adaptive Hybrid Functions (AHF). The AHF formulates a reliable Crowding Distance-Based Trust Region (CD-TR), and adaptively combines the favorable characteristics of different surrogate models. The weight of each contributing surrogate model is determined based on the local measure of accuracy for that surrogate model in the pertinent trust region. Such an approach is intended to exploit the advantages of each component surrogate. This approach seeks to simultaneously capture the global trend of the function as well as the local deviations. In this paper, the AHF combines four component surrogate models: (i) the Quadratic Response Surface Model (QRSM), (ii) the Radial Basis Functions (RBF), (iii) the Extended Radial Basis Functions (E-RBF), and (iv) the Kriging model. The AHF is applied to standard test problems and to a complex engineering design problem. Subsequent evaluations of the Root Mean Squared Error (RMSE) and the Maximum Absolute Error (MAE) illustrate the promising potential of this hybrid surrogate modeling approach.     

Effect of Grain Boundaries on Thermal Conductivity of Silicon Carbide Ceramic at 5 to 1300 K

The thermal conductivity of a SiC ceramic was measured as 270 W·m⁻¹·K⁻¹ at room temperature. At low temperatures ( T < 25 K), the decrease in the conductivity was proportional to T ³ on a logarithmic scale, which indicated that the conductivity was controlled by boundaries. The calculated phonon mean free path in the ceramic increased with decreased temperature, but was limited to ∼4 μm, a length almost equal to the grain size, at temperatures below 30 K. We concluded that the thermal conductivity of the ceramic below 30 K was influenced significantly by grain boundaries and grain junctions.     

Poly(pyridine-2,5-diyl)–CuCl2 catalyst for synthesis of dimethyl carbonate by oxidative carbonylation of methanol: catalytic activity and corrosion influence

A -conjugated polymer, poly(pyridine-2,5-diyl) (PPy) was investigated as a support for CuCl₂ in the synthesis of dimethyl carbonate by oxidative carbonylation of methanol. The PPy–CuCl₂ adduct had high catalytic activity which was comparable to that of the homogeneous CuCl₂ catalyst. The adduct caused corrosion of stainless-steel vessels only to minor extent, compared with the homogeneous CuCl₂ catalyst. This PPy–CuCl₂ catalyst was easily recycled by filtration and showed a similar catalytic activity in the third time use. The presence of the -conjugated system in PPy, through which electrons can move, may bring about the high catalytic activity for the oxidative carbonylation of methanol, which involves Cu(II)/Cu(I) redox processes.