Rigorous calculation of pixel and inter-electrode capacitances of thin-film transistor liquid crystal displays using three-dimensional simulation

We have rigorously calculated for the first time all the inter-electrode and pixel capacitances of Thin-Film Transistor Liquid Crystal Displays using the electrical energy distribution inside a liquid crystal cell. The energy distribution is obtained from the three-dimensional profiles of potential distribution and molecular director. The dynamic equation of continuum theory for liquid crystals is described in a tensorial form in order to maintain the equivalence of n and -n . The effects of lateral fields generated by multiple electrodes of finite sizes are taken into account in the simulation. As a numerical technique, we used a finite difference method which is suitable for the highly non-linear equations. As a result, we confirmed that the pixel capacitance for our pixel structure is about 40% larger than that of the conventional approach. It is also revealed that the gate-common and gate-data inter-electrode capacitances are not negligible.     

A parallel cell‐based DSMC method on unstructured adaptive meshes

A parallel DSMC method based on a cell‐based data structure is developed for the efficient simulation of rarefied gas flows on PC‐clusters. Parallel computation is made by decomposing the computational domain into several subdomains. Dynamic load balancing between processors is achieved based on the number of simulation particles and the number of cells allocated in each subdomain. Adjustment of cell size is also made through mesh adaptation for the improvement of solution accuracy and the efficient usage of meshes. Applications were made for a two‐dimensional supersonic leading‐edge flow, the axi‐symmetric Rothe's nozzle, and the open hollow cylinder flare flow for validation. It was found that the present method is an efficient tool for the simulation of rarefied gas flows on PC‐based parallel machines. Copyright © 2004 John Wiley & Sons, Ltd.     

Intramolecular energy transferable (2,2‐diphenylvinyl)phenyl substituted poly(p‐phenylenevinylene) derivative with efficient photoluminescence and electroluminescence

A poly(p‐phenylenevinylene) (PPV) derivative containing a bulky (2,2‐diphenylvinyl)phenyl group in the side chain, EHDVP‐PPV, was synthesized by Gilch route. The reduced tolane‐bisbenzyl (TBB) defects, as well as the structure of the polymer, was confirmed by various spectroscopic methods. The intramolecular energy transfer from the (2,2‐diphenylvinyl)phenyl side group to the PPV backbone was studied by UV‐vis and photoluminescence (PL) of the obtained polymer and model compound. The polymer film showed maximum absorption and emission peaks at 454 and 546 nm, respectively, and high PL efficiency of 57%. A yellow electroluminescence (λ_max = 548 nm) was obtained with intensities of 6479 cd/m² when the light‐emitting diodes of ITO/PEDOT/EHDVP‐PPV/LiF/Al were fabricated. The maximum power efficiency of the devices was 0.729 lm/W with a turn‐on voltage of 3.6 V. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5636–5646, 2004     

Mutation detection in the drug-resistant hepatitis B virus polymerase gene using nanostructured reverse micelles.

The emergence of drug-resistant hepatitis B virus (HBV) has been reported in patients with prolonged administration of lamivudine, which is a potent drug for the prevention of HBV infection. Lamivudine-resistant HBV has several types of mutations at the YMDD motif of its DNA polymerase. We successfully demonstrated that monitoring the hybridization behavior in nanostructured reverse micelles enables us to detect single nucleotide polymorphisms (SNPs). With the aid of reverse micelles, a model 40-mer oligonucleotide containing a single-base substitution was clearly distinguished from the normal, complementary oligonucleotide. In addition, we extended this technique to a high-throughput analysis. The results obtained with a 96-well micro-plate reader indicated the possibility of SNPs detection toward multiple samples of patients.     

Electrospinning of ultrafine cellulose acetate fibers: Studies of a new solvent system and deacetylation of ultrafine cellulose acetate fibers

Electrospinning of cellulose acetate (CA) in a new solvent system and the deacetylation of the resulting ultrafine CA fibers were investigated. Ultrafine CA fibers (∼2.3 μm) were successfully prepared via electrospinning of CA in a mixed solvent of acetone/water at water contents of 10–15 wt %, and more ultrafine CA fibers (0.46 μm) were produced under basic pH conditions. Ultrafine cellulose fibers were regenerated from the homogeneous deacetylation of ultrafine CA fibers in KOH/ethanol. It was very rapid and completed within 20 min. The crystal structure, thermal properties, and morphology of ultrafine CA fibers were changed according to the degree of deacetylation, finally to those of pure cellulose, but the nonwoven fibrous mat structure was maintained. The activation energy for the deacetylation of ultrafine CA fibers was 10.3 kcal/mol. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 5–11, 2004     

Cellulose dimethylphenylcarbamate-bonded carbon-clad zirconia for chiral separation in high performance liquid chromatography.

Porous zirconia particles are very robust material and have received considerable attention as a stationary phase support for HPLC. We prepared cellulose dimethylphenylcarbamate-bonded carbon-clad zirconia (CDMPCCZ) as a chiral stationary phase (CSP) for separation of enantiomers of a set of 14 racemic compounds in normal phase (NP) and reversed-phase (RP) liquid chromatography. Retention and enantioselectivity on CDMPCCZ were compared to those on CDMPC-coated zirconia (CDMPCZ) to see how the change in immobilization method of the chiral selector affects the retention and chiral selectivity. In NPLC, retention was longer and the number of resolved racemates was smaller on CDMPCCZ than on CDMPCZ. However, chiral selectivity factors for some resolved racemates were better on CDMPCCZ than on CDMPCZ. The longer retention on CDMPCCZ is likely due to strong, non-chiral discriminating interactions with the carbon layer on CDMPCZ. In RPLC only two racemates were resolved on CDMPCCZ, but retention times were shorter than, and resolutions were comparable to, those in NPLC, indicating a potential for improving chromatographic performance of the CDMPCCZ column in RPLC with optimized column preparation and separation conditions.     

Emission and sputtering characteristics of Ne-Ar mixed gas glow discharge plasmas.

The emission characteristics of several Cu lines emitted from a Ne-Ar mixed gas glow discharge plasma were investigated. The addition of small amounts of Ar to a Ne plasma increases the sputtering rate of a Cu sample because Ar ions, which work as the impinging ions for cathode sputtering, are predominantly produced through Penning ionization collisions between Ne metastables and Ar atoms. Ar addition also elevates the number density of electrons in the plasma. These changes occurring in the Ne-Ar mixed gas plasma result in enhanced emission intensities of the Cu lines. The Cu II 270.10-nm and the Cu II 224.70-nm lines yield different intensity dependence on the Ar partial pressure added. This phenomenon is because these Cu II lines are excited principally through different charge transfer processes: collisions with Ne ions for the Cu II 270.10-nm line and collisions with Ar ions for the Cu II 224.70-nm line. The shape of sputtered craters in the Ne-Ar glow discharge plasma was measured. The depth resolution was improved when Ar was added to a Ne plasma because the crater bottoms were flatter with larger Ar partial pressures.     

Preparation of antimicrobial poly(vinyl alcohol) nanofibers containing silver nanoparticles

Polyvinyl alcohol (PVA) nanofibers containing Ag nanoparticles were prepared by electrospinning PVA/silver nitrate (AgNO₃) aqueous solutions, followed by short heat treatment, and their antimicrobial activity was investigated for wound dressing applications. Since PVA is a water soluble and biocompatible polymer, it is one of the best materials for the preparation of wound dressing nanofibers. After heat treatment at 155 °C for 3 min, the PVA/AgNO₃ nanofibers became insoluble, while the Ag⁺ ions therein were reduced so as to produce a large number of Ag nanoparticles situated preferentially on their surface. The residual Ag⁺ ions were reduced by subsequent UV irradiation for 3 h. The average diameter of the Ag nanoparticles after the heat treatment was 5.9 nm and this value increased slightly to 6.3 nm after UV irradiation. It was found that most of the Ag⁺ ions were reduced by the simple heat treatment. The PVA nanofibers containing Ag nanoparticles showed very strong antimicrobial activity. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2468–2474, 2006     

Kinetics of phenyl radical reactions with propane,n‐butane,n‐hexane,and n‐octane: Reactivity of C6H5 toward the secondary C?H bond of alkanes

The kinetics of C₆H₅ reactions with n‐C_nH_2n+2 (n = 3, 4, 6, 8) have been studied by the pulsed laser photolysis/mass spectrometric method using C₆H₅COCH₃ as the phenyl precursor at temperatures between 494 and 1051 K. The rate constants were determined by kinetic modeling of the absolute yields of C₆H₆ at each temperature. Another major product C₆H₅CH₃ formed by the recombination of C₆H₅ and CH₃ could also be quantitatively modeled using the known rate constant for the reaction. A weighted least‐squares analysis of the four sets of data gave k (C₃H₈) = (1.96 ± 0.15) × 10¹¹ exp[?(1938 ± 56)/T], and k (n‐C₄H₁₀) = (2.65 ± 0.23) × 10¹¹ exp[?(1950 ± 55)/T] k (n‐C₆H₁₄) = (4.56 ± 0.21) × 10¹¹ exp[?(1735 ± 55)/T], and k (n?C₈H₁₈) = (4.31 ± 0.39) × 10¹¹ exp[?(1415 ± 65)T] cm³ mol^?1 s^?1 for the temperature range studied. For the butane and hexane reactions, we have also applied the CRDS technique to extend our temperature range down to 297 K; the results obtained by the decay of C₆H₅ with CRDS agree fully with those determined by absolute product yield measurements with PLP/MS. Weighted least‐squares analyses of these two sets of data gave rise to k (n?C₄H₁₀) = (2.70 ± 0.15) × 10¹¹ exp[?(1880 ± 127)/T] and k (n?C₆H₁₄) = (4.81 ± 0.30) × 10¹¹ exp[?(1780 ± 133)/T] cm³ mol^?1 s^?1 for the temperature range 297‐‐1046 K. From the absolute rate constants for the two larger molecular reactions (C₆H₅ + n‐C₆H₁₄ and n‐C₈H₁₈), we derived the rate constant for H‐abstraction from a secondary C? H bond, k_s?CH = (4.19 ± 0.24) × 10¹⁰ exp[?(1770 ± 48)/T] cm³ mol^?1 s^?1. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 36: 49–56, 2004     

A new VOF‐based numerical scheme for the simulation of fluid flow with free surface. Part II: application to the cavity filling and sloshing problems

Finite element analysis of fluid flow with moving free surface has been performed in 2‐D and 3‐D. The new VOF‐based numerical algorithm that has been proposed by the present authors (Int. J. Numer. Meth. Fluids, submitted) was applied to several 2‐D and 3‐D free surface flow problems. The proposed free surface tracking scheme is based on two numerical tools; the orientation vector to represent the free surface orientation in each cell and the baby‐cell to determine the fluid volume flux at each cell boundary. The proposed numerical algorithm has been applied to 2‐D and 3‐D cavity filling and sloshing problems in order to demonstrate the versatility and effectiveness of the scheme. The proposed numerical algorithm resolved successfully the free surfaces interacting with each other. The simulated results demonstrated applicability of the proposed numerical algorithm to the practical problems of large free surface motion. It has been also demonstrated that the proposed free surface tracking scheme can be easily implemented in any irregular non‐uniform grid systems and can be extended to 3‐D free surface flow problems without additional efforts. Copyright © 2003 John Wiley & Sons, Ltd.