Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

To theoretically explore amorphous materials with a sufficiently low dielectric loss, which are essential for next-generation communication devices, the applicability of a nonequilibrium molecular dynamics simulation employing an external alternating electric field was examined using alkaline silicate glass models. In this method, the dielectric loss is directly evaluated as the phase shift of the dipole moment from the applied electric field. This method enabled us to evaluate the dielectric loss in a wide frequency range from 1 GHz to 10 THz. It was observed that the dielectric loss reaches its maximum at a few THz. The simulation method was found to qualitatively reproduce the effects of alkaline content and alkaline type on the dielectric loss. Furthermore, it reasonably reproduced the effect of mixed alkalines on the dielectric loss, which was observed in our experiments on sodium and/or potassium silicate glasses. Alkaline mixing was thus found to reduce the dielectric loss.     

Fracture toughness evaluation of adjacent flow weld line in polystyrene by the SENB method

Fracture toughness of adjacent flow weld lines, defined as weld lines that occur when two flow fronts meet and continue to flow together in the same direction (meld line or hot weld line), was evaluated by the single‐edge notched‐bend (SENB) method using three differently‐shaped obstructive pins. Although the fracture toughness varied depending upon the shapes of the pin, the values could be standardized as the distance from the meeting point of the two flow fronts flowing around the pin. The fracture toughness decreased drastically from the meeting point along the weld line and then slightly increased. These characteristic features could be explained by flow‐induced molecular orientation at the weld line interface. The molecules around the meeting point that were initially oriented parallel to the weld line due to fountain flow were able to relax, and then entanglement across the weld line interface developed because the flow stopped in the middle of the filling process, resulting in high fracture toughness. In contrast, the material at the downstream side of the weld line continued flowing during the filling process, being stretched along the flow direction. So, the molecular orientation at this area could not relax. In addition, the V‐notch shape, i.e., the depth and length at the surface of the weld line, which also varied depending on the shape of the obstacles, was considered to be identical when the meeting point was allowed to be a datum point. Thus, the meeting point was found to be a significant factor when the properties of weld lines are investigated. POLYM. ENG. SCI., 45:1059–1066, 2005. © 2005 Society of Plastics Engineers     

Theoretical model for flash generation

Reduction of flash generated in a gas vent is of great concern for manufacturers of electronic parts. The present study proposes a theoretical model for flash generation through consideration of flow characteristics in a gas vent. The model predicts the factors controlling flash, i.e., material parameters such as zero‐shear viscosity, crystallization temperature, thermal conductivity, and heat capacity, and process parameters such as injection and mold wall temperatures, packing pressure, and the clearance of a gas vent. On the other hand, we measure the amount of flash generated in the molding of poly(phenylene sulfide) (PPS) composites containing glass fiber and spherical fillers (CaCO₃ or Al₂O₃). Flash reduces with decreasing size of spherical fillers. These experimental data are successfully interpreted using the flash model. Polym. Eng. Sci., 45:198–206, 2005. © 2005 Society of Plastics Engineers     

A flow simulation for the epoxy casting process using a 3D finite‐element method

A three‐dimensional flow simulation for epoxy casting has been developed. A control‐volume‐based finite‐element method is employed, containing a conservative upwind formulation for the advection terms and equal order interpolations for all variables. This simulation predicts the non‐isothermal and reactive flow behavior under the gravity. The viscosity and reaction‐rate parameters were estimated by using a dynamic rheometer and a differential scanning calorimeter. The predicted flow front advancement and temperature profiles in the calculation domain similar to the mold cavity were in close agreement with the corresponding experimental results. The variation of epoxy surface configuration with flow rate also showed the same tendency between the prediction and the experiment. This simulation seems to be applicable not only to the epoxy casting, but also to other molding processes of various thermoset resins. POLYM. ENG. SCI. 45:364–374, 2005. © 2005 Society of Plastics Engineers.     

Characterization and electrochemical properties of CF4 plasma-treated boron-doped diamond surfaces

The effect of CF₄ plasma etching on diamond surfaces, with respect to treatment time, was investigated using scanning electron microscopy (SEM), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electrochemical measurements. SEM observations and Raman spectra indicated an increase in surface roughening on a scale of 10–20 nm, and an increase in crystal defect density was apparent with treatment time in the range of 10 s to 30 min. In contrast, alteration of the diamond surface terminations from oxygen to fluorine was found to be rather rapid, with saturation of the F/C atomic ratio estimated from XPS analysis after treatment durations of 1 min and more. The redox kinetics of Fe(CN)₆^3−/4− was also found to be significantly modified after 10 s of CF₄ plasma treatment. This behavior shows that C–F terminations predominantly affect the redox kinetics compared to the effect on the surface roughness and crystal defects. The double-layer capacitance (C_dl) of the electrolyte/CF₄ plasma-treated boron-doped diamond interface was found to show a minimum value at 1 min of treatment. These results indicate that a short-duration CF₄ plasma treatment is effective for the fabrication of fluorine-terminated diamond surfaces without undesirable surface damage.     

Comparison of activities in selective catalytic reduction of NOx by C3H8 over Co/MFI, Fe/MFI, and H/MFI zeolite catalysts

The Co/MFI(SiO₂/Al₂O₃ = 30) were prepared by a precipitation method with NaOCl in alkali solutions exhibited high activities to N₂ at 250 °C for the selective catalytic reduction (SCR) of NO_x. These catalysts showed two UV–vis bands at 700 and 400 nm, indicating the presence of octahedral Co(III) as well as tetrahedral Co(II). The high SCR activity over such Co(III, II)/MFI(30) seems to come from Co(III)---O moieties. The Co(II)MFI(30) catalysts prepared from Co(II)Cl₂ exhibited low SCR activities due to the presence of tetrahedral Co(II) ions in MFI. Less CO formation occurred over Co/MFI catalysts. The Fe/MFI(30) catalyst exhibited high activity due to the presence of some Fe---O species in MFI but more amount of CO were produced during SCR. H/MFI(30) catalyst exhibited a good SCR activity. However, more amount of carbonaceous deposits were produced on it. The correlation between acid concentration and SCR activity was discussed over H/MFIs.     

The molecular interaction of Fas and FAP-1. A tripeptide blocker of human Fas interaction with FAP-1 promotes Fas-induced apoptosis

Fas (APO-1/CD95), which is a member of the tumor necrosis factor receptor superfamily, is a cell surface receptor that induces apoptosis. A protein tyrosine phosphatase, Fas-associated phosphatase-1 (FAP-1), that was previously identified as a Fas binding protein interacts with the C-terminal 15 amino acids of the regulatory domain of the Fas receptor. To identify the minimal region of the Fas C-terminal necessary for binding to FAP-1, we employed an in vitro inhibition assay of Fas/FAP-1 binding using a series of synthetic peptides as well as a screen of random peptide libraries by the yeast two-hybrid system. The results showed that the C-terminal three amino acids (SLV) of human Fas were necessary and sufficient for its interaction with the third PDZ (GLGF) domain of FAP-1. Furthermore, the direct cytoplasmic microinjection of this tripeptide (Ac-SLV) resulted in the induction of Fas-mediated apoptosis in a colon cancer cell line that expresses both Fas and FAP-1. Since t(S/T)X(V/L/I) motifs in the C termini of several other receptors have been shown to interact with PDZ domain in signal transducing molecules, this may represent a general motif for protein-protein interactions with important biological functions.     

Laser Induced Periodic Structures on Polymer Surfaces

Subhalf micron (0.2 nm) space and amplitude linear periodic structures and an array of dot images are obtained with the Nd:YAG laser irradiation on Kapton polyimide films, poly(ethylene terephthalate) films, spin-coated polyimide films and others. Different from the excimer laser irradiation, which requires a polarizer, our solid state Nd:YAG laser source provides polarized beams without a polarizer with advantage over excimer laser irradiation. AFM and SEM studies have been carried out. XPS studies of laser exposed areas indicate no significant chemical reactions took place on exposed areas.