Normalization and Fermi–Coulomb and Coulomb hole sum rules for approximate wave functions

For approximate wave functions, we prove the theorem that there is a one‐to‐one correspondence between the constraints of normalization and of the Fermi–Coulomb and Coulomb hole charge sum rules at each electron position. This correspondence is surprising in light of the fact that normalization depends on the probability of finding an electron at some position. In contrast, the Fermi–Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion, while the Coulomb hole sum rule depends on Coulomb repulsion. We demonstrate the theorem for the ground state of the He atom by the use of two different approximate wave functions that are functionals rather than functions. The first of these wave function functionals is constructed to satisfy the constraint of normalization, and the second that of the Coulomb hole sum rule for each electron position. Each is then shown to satisfy the other corresponding sum rule. The significance of the theorem for the construction of approximate “exchange‐correlation” and “correlation” energy functionals of density functional theory is also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Stability control of the electrooptic effect with new maleimide copolymers containing photoreactive tricyanopyrrolidene‐based chromophores

New photocrosslinkable maleimide copolymers have been synthesized by the attachment of a tricyanopyrrolidene‐based chromophore. The 2‐(3‐cyano‐4‐(2‐{4‐[hexyl‐(6‐hydroxy‐hexyl)‐amino]‐phenyl}‐vinyl)‐5‐oxo‐1‐{4‐[4‐(3‐oxo‐3‐phenyl‐propenyl)‐ phenoxy]‐butyl}‐1,5‐dihydro‐pyrrol‐2‐ylidene)‐malononitrile chromophore exhibits nonlinear optical activity and contains a chalcone moiety that is sensitive to UV light (λ = 330–360 nm) for crosslink formation. The maleimide monomers have also been functionalized with chalcone moieties. The resultant copolymers exhibit great processability, and one of them shows a maximum electrooptic coefficient of 90 pm/V at 1300 nm. We could control the thermal stability of the electrooptic coefficient with the newly synthesized photoreactive copolymers successfully. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 531–542, 2007     

Degradative chain transfer in vinyl acetate polymerizations using toluene as solvent

In this work, we propose that retardation in vinyl acetate polymerization rate in the presence of toluene is due to degradative chain transfer. The transfer constant to toluene (C_trs) determined using the Mayo method is equal to 3.8 × 10^?3, which is remarkably similar to the value calculated from the rate data, assuming degradative chain transfer (2.7 × 10^?3). Simulations, including chain‐length‐dependent termination, were carried out to compare our degradative chain transfer model with experimental results. The conversion–time profiles showed excellent agreement between experiment and simulation. Good agreement was found for the M_n data as a function of conversion. The experimental and simulation data strongly support the postulate that degradative chain transfer is the dominant kinetic mechanism. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3620–3625, 2007     

Glass transitions and mixed phases in block SBS

Differential scanning calorimetry (DSC) does not allow for easy determination of the glass‐transition temperature (T_g) of the polystyrene (PS) block in styrene–butadiene–styrene (SBS) block copolymers. Modulated DSC (MDSC), which deconvolutes the standard DSC signal into reversing and nonreversing signals, was used to determine the (T_g) of both the polybutadiene (PB) and PS blocks in SBS. The T_g of the PB block was sharp, at ?92 °C, but that for the PS blocks was extremely broad, from ?60 to 125 °C with a maximum at 68 °C because of blending with PB. PS blocks were found only to exist in a mixed PS–PB phase. This concurred with the results from dynamic mechanical analysis. Annealing did not allow for a segregation of the PS blocks into a pure phase, but allowed for the segregation of the mixed phase into two mixed phases, one that was PB‐rich and the other that was PS‐rich. It is concluded that three phases coexist in SBS: PB, PB‐rich, and PS‐rich phases. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 276–279, 2005     

Chemical Constituents of Ligusticum sinensis Oliv.

The new phenylpropanoid diglycoside ligusinenoside A ( 1 ), and the two new 8,4′‐oxyneolignan(‘8‐O‐4′‐neolignan’) diglycosides ligusinenosides B ( 2 ) and C ( 3 ), together with nine known compounds, were isolated from the rhizomes of Ligusticum sinensis Oliv. The structures of 1 – 3 were elucidated on the basis of spectroscopic analyses.     

An experimental study of dynamic tensile properties of glass fiber at low-temperatures

Tensile impact experiments of EC8.0−24×7 glass fiber bundles at different low temperaturesT(14°C, −40°C and −10°C) and strain rates ɛ were carried out, and complete stress-strain curves were obtained. Within the range of the experiment temperatures and strain rates, it is found that the initial modulusE, the ultimate strength σ_max and the unstable strain ɛ _b of the glass fiber bundles all increase with ɛ at an identicalT. At an identical ɛ, with the decrease ofT, E and σ_max increase; but ɛ _b increases when 10°C>T>−40°C and decreases when −40°C>T>−100°C. The strain-rate- and temperature-dependent bimodal Weibull statistical constitutive theory was adopted for the statistical analysis of the experimental results, and the Weibull parameters of single fiber were obtained. The results show that the bimodal Weibull distribution function is suitable to represent the strength distribution of the glass fiber at low temperature and different strain rates. The differences in the mechanical properties between EC8.0−24×7 and EC5.5−12 ×14 glass fiber bundles were also discussed. Project supported by the National Natural Science Foundation of China (No. 19772058).     

High-density plasma etching of indium-zinc oxide films in Ar/Cl2 and Ar/CH4/H2 chemistries

The dry etching characteristics of transparent and conductive indium-zinc oxide (IZO) films have been investigated using an inductively coupled high-density plasma. While the Cl₂-based plasma mixture showed little enhancement over physical sputtering in a pure argon atmosphere, the CH₄/H₂/Ar chemistry produced an increase of the IZO etch rate. On the other hand, the surface morphology of IZO films after etching in Ar and Ar/Cl₂ discharges is smooth, whereas that after etching in CH₄/H₂/Ar presents particle-like features resulting from the preferential desorption of In- and O-containing products. Etching in CH₄/H₂/Ar also produces formation of a Zn-rich surface layer, whose thickness (∼40 nm) is well-above the expected range of incident ions in the material (∼1 nm). Such alteration of the IZO layer after etching in CH₄/H₂/Ar plasmas is expected to have a significant impact on the transparent electrode properties in optoelectronic device fabrication.     

新疆野生黑加仑与马林果实的营养成分分析

通过对新疆野生黑加仑和野生马林的脂肪油，8种微量元素，17种氨基酸以及维生素C的含量进行测定得出：黑加仑脂肪油含量为17．9％，马林的脂肪油含量为22．3％，其中，黑加仑脂肪油中，r－亚麻酸的含量为19．02％，而马林中，其含量为9．40％，黑加仑中K，Na,Ca,Cu,Zn,Fe的含量比马林中的含量高，而Mn,Mg元素的含量却比马林含量低；马林的维生素C含量为16．22mg/g，黑加仑的含量为108mg/g，黑加仑的氨基酸的总量为1．63％，马林为1．14％。