The effects of hydrogen plasma pretreatment on the formation of vertically aligned carbon nanotubes

The effects of H₂ plasma pretreatment on the growth of vertically aligned carbon nanotubes (CNTs) by varying the flow rate of the precursor gas mixture during microwave plasma chemical vapor deposition (MPCVD) have been investigated in this study. Gas mixture of H₂ and CH₄ with a ratio of 9:1 was used as the precursor for synthesizing CNTs on Ni-coated TiN/Si(1 0 0) substrates. The structure and composition of Ni catalyst nanoparticles were investigated by using scanning electron microscopy (SEM) and cross-sectional transmission electron microscopy (XTEM). Results indicated that, by manipulating the morphology and density of the Ni catalyst nanoparticles via changing the flow rate of the precursor gas mixture, the vertically aligned CNTs could be effectively controlled. The Raman results also indicated that the intensity ratio of the G and D bands (I_D/I_G) is decreased with increasing gas flow rate. TEM results suggest H₂ plasma pretreatment can effectively reduce the amorphous carbon and carbonaceous particles and, thus, is playing a crucial role in modifying the obtained CNTs structures.     

Nonuniform sampling and maximum entropy reconstruction applied to the accurate measurement of residual dipolar couplings

Residual dipolar couplings (RDC) provide important global restraints for accurate structure determination by NMR. We show that nonuniform sampling in combination with maximum entropy reconstruction (MaxEnt) is a promising strategy for accelerating and potentially enhancing the acquisition of RDC spectra. Using MaxEnt-processed spectra of nonuniformly sampled data sets that are reduced up to one fifth relative to uniform sampling, accurate 13C'-13Calpha RDCs can be obtained that agree with an RMS of 0.67 Hz with those derived from uniformly sampled, Fourier transformed spectra. While confirming that frequency errors in MaxEnt spectra are very slight, an unexpected class of systematic errors was found to occur in the 6th significant figure of 13C' chemical shifts of doublets obtained by MaxEnt reconstruction. We show that this error stems from slight line shape perturbations and predict it should be encountered in other nonlinear spectral estimation algorithms. In the case of MaxEnt reconstruction, the error can easily be rendered systematic by straightforward optimization of MaxEnt reconstruction parameters and self-cancels in obtaining RDCs from nonuniformly sampled, MaxEnt reconstructed spectra.     

Elasticity transition and loop formation in vibrated bead chains: A simulation of polymer chains

By measuring the distribution function of the end-to-end distance, we find that strongly shaken bead chains exhibit many properties, such as the rigid-rod-to-Gaussian chain transition, scaling, fast drop of loop formation probability in the short-chain regime, and enhancement of loop formation probability for kinked chains, of long-chain polymers. Though there is difference in local details between our chains and the worm-like chains, our results are consistent with recent calculations based on the worm-like chain model in many respects.     

Electron-hole coupling and the charge density wave transition in TiSe2

Angle-resolved photoemission is employed to measure the band structure of TiSe2 in order to clarify the nature of the ( 2 x 2 x 2) charge density wave transition. The results show a very small indirect gap in the normal phase transforming into a larger indirect gap at a different location in the Brillouin zone. Fermi surface topology is irrelevant in this case. Instead, electron-hole coupling together with a novel indirect Jahn-Teller effect drives the transition.     

A general mixed covolume framework for constructing conservative schemes for elliptic problems

We present a general framework for the finite volume or covolume schemes developed for second order elliptic problems in mixed form, i.e., written as first order systems. We connect these schemes to standard mixed finite element methods via a one-to-one transfer operator between trial and test spaces. In the nonsymmetric case (convection-diffusion equation) we show one-half order convergence rate for the flux variable which is approximated either by the lowest order Raviart-Thomas space or by its image in the space of discontinuous piecewise constants. In the symmetric case (diffusion equation) a first order convergence rate is obtained for both the state variable (e.g., concentration) and its flux. Numerical experiments are included.

     

High-Resolution Measurements of HBr Transitions in the First Overtone Band Using Tunable Diode Lasers

High-resolution absorption lineshapes of the R(7) and P(2) transitions in the first overtone (v = 0-2) band of H(79)Br have been recorded at room temperature using a pair of distributed feedback diode lasers operating near 1.95 and 2.00 μm, respectively. Spectral line intensities and self-broadening coefficients were determined by fitting the measured spectra (for various pressures P = 10-100 Torr) with Voigt profiles and compared with values in the literature. Measured line intensities for the P(2) and R(7) transitions are approximately 11 and 16% higher than those listed in the HITRAN database, respectively. The measured self-broadening coefficient of the P(2) transition is approximately 14% lower than the value listed in HITRAN. Measurements of the P(2) lineshapes at low pressure (100 mTorr) were modeled with eight-line Gaussian profiles based on ground state (v = 0) hyperfine constants to include the effects of nuclear electric quadrupole interactions. Copyright 2000 Academic Press.     

An approach to estimating and extrapolating model error based on inverse problem methods:towards accurate numerical weather prediction

Model error is one of the key factors restricting the accuracy of numerical weather prediction(NWP). Considering the continuous evolution of the atmosphere, the observed data(ignoring the measurement error) can be viewed as a series of solutions of an accurate model governing the actual atmosphere. Model error is represented as an unknown term in the accurate model, thus NWP can be considered as an inverse problem to uncover the unknown error term. The inverse problem models can absorb long periods of observed data to generate model error correction procedures. They thus resolve the deficiency and faultiness of the NWP schemes employing only the initial-time data. In this study we construct two inverse problem models to estimate and extrapolate the time-varying and spatial-varying model errors in both the historical and forecast periods by using recent observations and analogue phenomena of the atmosphere. Numerical experiment on Burgers’ equation has illustrated the substantial forecast improvement using inverse problem algorithms. The proposed inverse problem methods of suppressing NWP errors will be useful in future high accuracy applications of NWP.     

Effect of Annealing Poly(4-Methylpentene) and of Oxidative Degradation during Annealing

Injection molded specimens of a poly(4-methylpentene) (TPX) were annealed at temperatures between 140 and 220°C for times up to 500 min in air, and the annealed TPX specimens were characterized by the differential scanning calorimeter, UV–visible spectrometry, FT-IR, and X-ray diffraction. The annealing of the TPX specimens at 140–180°C for 50 min showed little effect on their thermal properties. However, the thermal properties were significantly affected by annealing at 200–220°C, and the change was dependent on the annealing time. Besides the annealing effect, the thermal properties were also affected by oxidative degradation. Severe oxidative degradation can destroy the crystalline structure and thus decreases the crystallinity. The oxidative degradation phenomenon of the TPX specimens during annealing can be simulated by isothermal scanning of the weight loss in air by thermal gravimetric analysis.     

A Bipolar Host Material Containing Triphenylamine and Diphenylphosphoryl‐Substituted Fluorene Units for Highly Efficient Blue Electrophosphorescence

Highly efficient blue electrophosphorescent organic light‐emitting diodes incorporating a bipolar host, 2,7‐bis(diphenylphosphoryl)‐9‐[4‐(N,N‐diphenylamino)phenyl]‐9‐phenylfluorene (POAPF), doped with a conventional blue triplet emitter, iridium(III) bis[(4,6‐difluoro‐phenyl)pyridinato‐N,C^2´]picolinate (FIrpic) are fabricated. The molecular architecture of POAPF features an electron‐donating (p‐type) triphenylamine group and an electron‐accepting (n‐type) 2,7‐bis(diphenyl‐phosphoryl)fluorene segment linked through the sp³‐hybridized C9 position of the fluorene unit. The lack of conjugation between these p‐ and n‐type groups endows POAPF with a triplet energy gap (E_T) of 2.75 eV, which is sufficiently high to confine the triplet excitons on the blue‐emitting guest. In addition, the built‐in bipolar functionality facilitates both electron and hole injection. As a result, a POAPF‐based device doped with 7 wt% FIrpic exhibits a very low turn‐on voltage (2.5 V) and high electroluminescence efficiencies (20.6% and 36.7 lm W^?1). Even at the practical brightnesses of 100 and 1000 cd m^?2, the efficiencies remain high (20.2%/33.8 lm W^?1 and 18.8%/24.3 lm W^?1, respectively), making POAPF a promising material for use in low‐power‐consumption devices for next‐generation flat‐panel displays and light sources.