Metal-induced negative oxide charge detected by an alternating current surface photovoltage in thermally oxidized Fe-contaminated n-type Si (001) wafers

The atomic-bridging type negative oxide charge in SiO₂ is investigated using the Fe-contaminated (001) surface of n-type Si wafers. The investigation is done on the basis of a chemical analysis and a method in which the frequency-dependent alternating current (AC) surface photovoltage (SPV) is measured. At room temperature, an AC SPV appears and gradually increases, saturating after approximately one day (with an Fe concentration on the Si surface of 4.0 × 10¹³ atoms/cm²). The AC SPV eventually becomes inversely proportional to frequency except at very low frequencies (< 10 Hz) corresponding to weak or strong inversion, indicating that the negative Fe induced oxide charge appears in the form of a (FeOSi)⁻ network. Also, in Fe-contaminated n-type Si(001) surfaces thermally oxidized at between 550 and 650 °C for 60 min, strong inversion is unquestionably observed, proving that the (FeOSi)⁻ network survives and that most of the added Fe has segregated into the region closest to the surface of the thin SiO₂ film. At 850 °C and/or for long oxidation times, the AC SPV decreases and ultimately disappears, implying that the (FeOSi)⁻ network has collapsed and may have changed into Fe₂O₃. A model for the metal-induced negative oxide charge in the conventional oxide charge diagram is proposed.     

Pharmaceutical production of tableting granules in an ultra-small-scale high-shear granulator as a pre-formulation study

Objective: In some of drug developments, the amount of bulk drug powder to use in early stages is limited and it is not easy to supply a sufficient drug amount for conventional preparation methods. Therefore, an ultra-small-scale high-shear granulator (less than 5?g) (USG) was developed and applied to small-scale granulation as a pre-formulation. Method: The sample powder consisted of 66.5% lactose, 28.5% microcrystalline cellulose and 5.0% hydroxypropylcellulose. The granules were obtained to agitate 5?g of the sample powder with 1.0?mL of water at 300?rpm for 5?min after pre-powder mixing for 3?min by the USG and the manual hand (HM) methods. Results: The granules were evaluated by the 10% and 90% accumulated particle size and the recoveries of the granules and the powder solid. Median particle size for the USG and the HM methods was 159.2?±?2.3 and 270.9?±?14.9 μm, respectively. The USG method had a narrower particle size distribution than those by the HM method. The recovery of the granules by USG was significantly larger than that by the HM method. Conclusion: Characteristics of all of the granules indicated that the USG method could produce higher quality granules within a shorter time than the HM methods.     

Structural and electronic properties of extremely long perylene bisimide nanofibers formed through a stoichiometrically mismatched, hydrogen-bonded complexation

Extremely long nanofibers, whose lengths reach the millimeter regime, are generated via co-aggregation of a melamine-appended perylene bisimide semiconductor and a substituted cyanurate, both of which are ditopic triple-hydrogen-bonding building blocks; they co-aggregate in an unexpected stoichiometrically mismatched 1:2 ratio. Various microscopic and X-ray diffraction studies suggest that hydrogen-bonded polymeric chains are formed along the long axis of the nanofibers by the 1:2 complexation of the two components, which further stack along the short axis of the nanofibers. The photocarrier generation mechanism in the nanofibers is investigated by time-of-flight (TOF) experiments under electric and magnetic fields, revealing the birth and efficient recombination of singlet geminate electron-hole pairs. Flash-photolysis time-resolved microwave conductivity (FP-TRMC) measurements revealed intrinsic 1D electron mobilities up to 0.6 cm(2) V(-1) s(-1) within nanofibers.     

T-Stress solutions for a semi-elliptical axial surface crack in a cylinder subjected to mode-I non-uniform stress distributions

This paper presents the T-stress solutions (T₁₁ and T₃₃) for semi-elliptical axial surface cracks in a cylinder subjected to mode-I non-uniform stress on the crack surface. Two cylindrical geometries with inner radius (R_i) to wall thickness (t) ratios R_i/t = 5 and 10 were considered. The T-stresses were applied along the crack front for normalized crack depth values a/t of 0.2, 0.4 and 0.5 and aspect ratios a/c of 0.2, 0.4, 0.6 and 1.0. Three stress distribution; uniform, linear and parabolic were applied to the crack face. In addition to these solutions, concrete formulation of the superposition principle is given for the T₃₃-stress, which is known as an elastic parameter that describes the out-of-plane crack tip constraint effect. Then, the validity of the formulation was shown through application of our T-stress solutions to the problem of an axial semi-elliptical surface crack in a cylinder subjected to internal pressure, and checking that the principle of superposition holds for the problem.     

Experimental T33-stress formulation of test specimen thickness effect on fracture toughness in the transition temperature region

This paper describes a study of the test specimen thickness effect on fracture toughness of a material, in the transition temperature region, for CT specimens. In addition we studied the specimen thickness effect on the T₃₃-stress (the out-of-plane non-singular term in the series of elastic crack-tip stress fields), expecting that T₃₃-stress affected the crack-tip triaxiality and thus constraint in the out-of-plane direction. Finally, an experimental expression for the thickness effect on the fracture toughness using T₃₃-stress is proposed for 0.55% carbon steel S55C. In addition to the fact that T₃₃ (which was negative) seemed to show an upper bound for large B/W, these results indicate the possibility of improving the existing methods for correlating fracture toughness obtained by test specimen with the toughness of actual cracks found in the structure, using T₃₃-stress.     

Neutron cross section sensitivity analysis of UO2 and MOX core physics experiments on light water reactors

The perturbation theory based on the transport calculation has been applied to study sensitivity of neutron multiplication factors (k_eff's) to neutron cross sections used for the reactivity analysis of UO₂ and MOX core physics experiments on light water reactors. The studied cross sections were neutron capture, fission and elastic scattering cross sections, and a number of fission neutrons, ν. The obtained sensitivities were multiplied to relative differences in the cross sections between JENDL-4.0 and JENDL-3.3 in order to estimate the reactivity effects. The results show that the increase in k_eff, 0.3%Δk/kk′, from JENDL-3.3 to JENDL-4.0 for the UO₂ core is mainly attributed to the decreases in the capture cross sections of ²³⁸U. On the other hand, there are various contributions from the differences in the cross sections of U, Pu, and Am isotopes for the MOX cores. The major contributions to increase in k_eff are decreases in the capture cross sections of ²³⁸U,²³⁸Pu, ²³⁹Pu, and those to decrease in k_eff are decreases in ν of ²³⁹Pu and increases in the capture cross sections of²⁴¹Am. They compensate each other, and the difference in k_eff between JENDL-3.3 and JENDL-4.0 is less than 0.1%Δk/kk′ and relatively small.     

An optimization approach to establish an appropriate energy group structure for BWR pin-by-pin core analysis

An optimization approach to establish an appropriate multi-group energy structure for boiling water reactor (BWR) pin-by-pin fine mesh core analysis is proposed. In the present approach, the number of energy groups of cross sections is successively reduced or increased. In order to select an energy group boundary that is removed or added, performances of all possible candidates of energy group structures are tested in multi-assembly geometries. Then, the energy group boundary, which provides the minimum difference of the k-infinity or the pin-by-pin fission rate distribution, is finally removed or added. This procedure is repeated until the number of energy groups reaches to the target value. In order to confirm the applicability of the present approach, the accuracies of the k-infinity and the pin-by-pin fission rate distribution are investigated in various 2 × 2 multi-assembly geometries with the established energy group structure. From the verification results, the differences of the k-infinity and the pin-by-pin fission rate distribution between the reference (fine) and the established (coarse) energy group structure are small in the various 2 × 2 multi-assembly geometries. Therefore, we can conclude that the present approach is efficient to establish an appropriate energy group structure for BWR pin-by-pin fine mesh core analysis.     

Applicability of angular flux discontinuity factor preserving region-wise leakage for integro-differential transport equation

In the current core analysis, spatial homogenization is utilized to reduce the computational time. The discontinuity factor (DF) is one of the effective correction factors to reduce spatial homogenization error. The DF in diffusion equation is widely used; on the other hand the DF in transport equation has not been put to practical use although several efforts have been carried out. In this paper, the angular flux discontinuity factor (AFDF) as the DF for the integro-differential transport equation (e.g., the discrete-ordinate method, the method of characteristics) is theoretically described and its applicability is discussed. The AFDF is used to preserve the region-wise neutron leakage at each spatial mesh and defined as a ratio of heterogeneous and homogeneous angular fluxes at the homogenized region surface. In a homogeneous calculation with the AFDF, the angular flux is discontinuous at the region surface. In this paper the applicability of the AFDF to fuel pin cell homogenization is verified for one-dimensional slab geometry. As a result of this verification, it is confirmed that the AFDF has the capability to reduce the spatial homogenization error of fuel pin cell homogenization.     

Identification of Ustilago cynodontis as a new producer of glycolipid biosurfactants, mannosylerythritol lipids, based on ribosomal DNA sequences

Mannosylerythritol lipids (MELs) are one of the most promising glycolipid biosurfactants known because of their multifunctionality and biocompatibility. The search for novel producers of MELs was undertaken based on the analysis of ribosomal DNA sequences on basidiomycetous yeasts. The bermuda grass smut fungus Ustilago cynodontis NBRC 7530, which taxonomically relates to Pseudozyma shanxiensis known as a MEL-C producer, was found to accumulate glycolipids in the cultured medium. Under a shake flask culture with soybean oil, the amount of the glycolipids was 1.4 g/L for 7 days at 25 degrees C. As a result of the structural characterization, the main glycolipids was identified as 4-O-[(4'-O-acetyl-3'-O-alka(e)noyl-2'-O-butanoyl)-beta-D-mannopyranosyl]-D-erythritol, and the major fatty acids were C(14) and C(16) ones. The glycolipid was highly hydrophilic MEL-C, and very similar to those produced by P. shanxiensis. The fungi of the genus Ustilago are thus likely to be potential producers of MELs as well as the yeasts of the genus Pseudozyma.