First principles determination of the bound levels of HeLi-

An analytical potential energy curve is developed from high quality ab initio calculations for the He+Li- interaction. The HeLi- electrostatic complex is found to have an Re of 18.5 bohrs and a De of 0.974 cm(-1). Numerical solution of the rovibrational Schr?dinger equation with this potential indicates two bound levels, (v,J)=(0,0) and (0,1), for all naturally occurring isotopologs (i.e., 4He7Li-, 4He6Li-, 3He7Li-, and 3He6Li-). For the common isotopolog, 4He7Li-, a D0 of 0.207 cm(-1) and an R0 of 26.5 bohrs is determined.     

Sequence influence of nonidentical InGaAsP quantum wells on broadband characteristics of semiconductor optical amplifiers--superluminescent diodes

Extremely broadband emission is obtained from semiconductor optical amplifiers-superluminescent diodes with nonidentical quantum wells made of InGaAsP/InP materials. The well sequence is experimentally shown to have a significant influence on the emission spectra. With the three In(0.67) Ga(0.33) As(0.72) P(0.28) quantum wells near the n -cladding layer and the two In(0.53) Ga(0.47) As quantum wells near the p -cladding layer, all bounded by In(0.86) Ga(0.14) As(0.3)P(0.7) barriers, the emission spectrum could cover from less than 1.3 to nearly 1.55 microm, and the FWHM could be near 300 nm.     

All-optical image processing by means of a photosensitive nonlinear liquid-crystal film: edge enhancement and image addition-subtraction

We demonstrate two simple yet efficient all-optical image-processing techniques that use nonlinear photosensitive dye-doped nematic liquid-crystal films, namely, edge enhancement and image addition-subtraction operations. These films require no external bias and function at much lower optical powers and shorter response times than other conventional methods.     

Wiener–Itô Theorem in Terms of Wick Tensors

Wick tensors are used to describe homogeneous chaos and to define multiple Wiener integrals. The Wiener–Itô decomposition is expressed by the formula $$\varphi (x) = \sum\limits_{n = 0}^\infty {\frac{1}{{n!}}\int_B {[D^n (\mu \varphi )(0)]^ \sim}} (x + iy,...,x + iy)d\mu (y)$$ . We use this formula to interpret Hida's original idea of generalized multiple Wiener integrals as generalized functions acting on the space of test functions.     

Suprasegmental and segmental timing models in Mandarin Chinese and American English

This paper formalizes and tests two key assumptions of the concept of suprasegmental timing: segmental independence and suprasegmental mediation. Segmental independence holds that the duration of a suprasegmental unit such as a syllable or foot is only minimally dependent on its segments. Suprasegmental mediation states that the duration of a segment is determined by the duration of its suprasegmental unit and its identity, but not directly by the specific prosodic context responsible for suprasegmental unit duration. Both assumptions are made by various versions of the isochrony hypothesis [I. Lehiste, J. Phonetics 5, 253-263 (1977)], and by the syllable timing hypothesis [W. Campbell, Speech Commun. 9, 57-62 (1990)]. The validity of these assumptions was studied using the syllable as suprasegmental unit in American English and Mandarin Chinese. To avoid unnatural timing patterns that might be induced when reading carrier phrase material, meaningful, nonrepetitive sentences were used with a wide range of lengths. Segmental independence was tested by measuring how the average duration of a syllable in a fixed prosodic context depends on its segmental composition. A strong association was found; in many cases the increase in average syllabic duration when one segment was substituted for another (e.g., bin versus pin) was the same as the difference in average duration between the two segments (i.e., [b] versus [p]). Thus, the [i] and [n] were not compressed to make room for the longer [p], which is inconsistent with segmental independence. Syllabic mediation was tested by measuring which locations in a syllable are most strongly affected by various contextual factors, including phrasal position, within-word position, tone, and lexical stress. Systematic differences were found between these factors in terms of the intrasyllabic locus of maximal effect. These and earlier results obtained by van Son and van Santen [R. J. J. H van Son and J. P. H. van Santen, "Modeling the interaction between factors affecting consonant duration," Proceedings Eurospeech-97, 1997, pp. 319-322] showing a three-way interaction between consonantal identity (coronals vs labials), within-word position of the syllable, and stress of surrounding vowels, imply that segmental duration cannot be predicted by compressing or elongating segments to fit into a predetermined syllabic time interval. In conclusion, while there is little doubt that suprasegmental units play important predictive and explanatory roles as phonological units, the concept of suprasegmental timing is less promising.     

Scanning probe-based frequency-dependent microrheology of polymer gels and biological cells

A new scanning probe-based microrheology approach is used to quantify the frequency-dependent viscoelastic behavior of both fibroblast cells and polymer gels. The scanning probe shape was modified using polystyrene beads for a defined surface area nondestructively deforming the sample. An extended Hertz model is introduced to measure the frequency-dependent storage and loss moduli even for thin cell samples. Control measurements of the polyacrylamide gels compare well with conventional rheological data. The cells show a viscoelastic signature similar to in vitro actin gels.     

Mean-field HP model, designability and alpha-helices in protein structures

Analysis of the geometric properties of a mean-field HP model on a square lattice for protein structure shows that structures with a large number of switchbacks between surface and core sites are chosen favorably by peptides as unique ground states. Global comparison of model (binary) peptide sequences with concatenated (binary) protein sequences listed in the Protein Data Bank and the Dali Domain Dictionary indicates that the highest correlation occurs between model peptides choosing the favored structures and those portions of protein sequences containing alpha helices.     

Gibbs energy of activation for thermal isomerization of (1Z)‐acetaldehyde hydrazone and (1Z)‐acetaldehyde N,N‐dimethylhydrazone by Gaussian‐4 theory and CCSD(T)/CBS computations

In this article, we examined the Gibbs energy of activation for the Z/E thermal isomerization reaction of (1Z)‐acetaldehyde hydrazone and (1Z)‐acetaldehyde N,N‐dimethylhydrazone, at 298.15 K in the solvent of cyclohexane. We carried out computations employing both the Gaussian‐4 (G4) theory and the coupled cluster method using both single and double substitutions and triple excitations noniteratively, CCSD(T). The CCSD(T) energy is extrapolated to the complete basis set (CBS). We compared the calculated results to the available experimental observation. It appeared that both G4 and CCSD(T)/CBS computations overestimated the experimental value by as much as about 6 and 12 kcal/mol in the present two cases. We discussed possible sources of error and proposed the experimental kinetic data could be questionable. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009     

Numerical solution of reaction–diffusion equations by compact operators and modified equation methods

A system of reaction–diffusion equations which governs the propagation of an ozone decomposition laminar flame in Lagrangian co-ordinates is analysed by means of compact operators and modified equation methods. It is shown that the use of fourth-order accurate compact operators yields very accurate solutions if sufficient numbers of grid points are located at the flame front, where very steep gradients of temperature and species concentrations exist. Modified equation methods are shown to impose a restriction on the time step under certain conditions. The solutions obtained by means of compact operators and modified equation methods are compared with solutions obtained by other methods; good agreement is obtained.     

In-situ synchrotron X-ray absorption studies of LiMn0.25Fe0.75PO4 as a cathode material for lithium ion batteries

Recently, lithium bi-metal phosphates (LiM′M″PO₄) have been synthesized for use as cathode materials in order to increase cell voltages and electrical performances. In this work, we have substituted Mn²⁺ at the 4c site of LiFePO₄ to prepare the lithium bi-metal phosphate LiMn_0.25Fe_0.75PO₄ and have found that it greatly enhances the cell voltage. At a 0.05 C discharge rate, the cell capacity was about 153 mAhg^− 1 and the average working voltage rose to 3.53 V due to the Mn substitution. However, the capacity and working voltage both decrease as the discharge rate increases. By in-situ metal K-edge absorption analysis, it reveals that the substituted metal Mn²⁺ does not work completely at a higher discharge rate, due to poor electrical conductivity and a serious Jahn–Teller effect.