Cyclic Monopoles,Affine Toda and Spectral Curves

We show that any cyclically symmetric monopole is gauge equivalent to Nahm data given by Sutcliffe’s ansatz, and so obtained from the affine Toda equations. Further the direction (the Ercolani-Sinha vector) and base point of the linearising flow in the Jacobian of the spectral curve associated to the Nahm equations arise as pull-backs of Toda data. A theorem of Accola and Fay then means that the theta-functions arising in the solution of the monopole problem reduce to the theta-functions of Toda.     

Dimerization and charge order in hollandite K₂V₈O₁₆

The metal-insulator transition occurring in hollandite K?V?O?? has been studied by means of neutron and x-ray diffraction as well as by thermodynamic and electron-spin resonance measurements. The complete analysis of the crystal structure in the distorted phase allows us to identify dimerization as the main distortion element in insulating K?V?O??. At low-temperature, half of the V chains are dimerized perfectly explaining the suppression of magnetic susceptibility due to the formation of spin singlets. The dimerization is accompanied by the segregation of charges into chains.     

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

Jaguar is an ab initio quantum chemical program that specializes in fast electronic structure predictions for molecular systems of medium and large size. Jaguar focuses on computational methods with reasonable computational scaling with the size of the system, such as density functional theory (DFT) and local second‐order Møller–Plesset perturbation theory. The favorable scaling of the methods and the high efficiency of the program make it possible to conduct routine computations involving several thousand molecular orbitals. This performance is achieved through a utilization of the pseudospectral approximation and several levels of parallelization. The speed advantages are beneficial for applying Jaguar in biomolecular computational modeling. Additionally, owing to its superior wave function guess for transition‐metal‐containing systems, Jaguar finds applications in inorganic and bioinorganic chemistry. The emphasis on larger systems and transition metal elements paves the way toward developing Jaguar for its use in materials science modeling. The article describes the historical and new features of Jaguar, such as improved parallelization of many modules, innovations in ab initio pKa prediction, and new semiempirical corrections for nondynamic correlation errors in DFT. Jaguar applications in drug discovery, materials science, force field parameterization, and other areas of computational research are reviewed. Timing benchmarks and other results obtained from the most recent Jaguar code are provided. The article concludes with a discussion of challenges and directions for future development of the program. © 2013 Wiley Periodicals, Inc.     

Characteristics of Phonatory Function in Singers and Nonsingers With Vocal Fold Nodules

Purpose

The goals of this study were to determine if there were significant differences between singers and nonsingers in the morphology of vocal nodules and the associated impact on vocal function.

Method

Participants were 10 professionally trained singers with nodules, eight nonsingers with nodules, and 10 individuals with healthy normal voice (controls). Surface electromyography (sEMG) from three anterior neck locations and acoustic rise times for vowels /a/ and /i/ were measured in all the participants. In individuals with nodules, dB SPL/cm H₂O, glottal airflow, and nodule location and size were also measured.

Results

There were no significant differences between singers and nonsingers with nodules in terms of airflow, dB SPL/cm H₂O, nodule size, or nodule location. In nonsingers with nodules, airflow and nodule size were significantly correlated, but were not significantly correlated in singers. Vowel rise times and sEMG during vocal tasks did not differentiate among nodule and control groups. Sternocleidomastoid sEMG during initiation of the vowel /a/ was statistically significantly stronger in nonsingers with nodules relative to singers with nodules and controls.

Conclusions

Nodule morphology did not differ between singers and nonsingers, although some behavioral aspects of phonation differed between the groups.     

Low‐Temperature Route to Crystalline Titania Network Structures in Thin Films

A low temperature route to crystalline titania nanostructures in thin films is presented. The synthesis is performed by the combination of sol‐gel processes, using a novel precursor for this kind of application, an ethylene glycol‐modified titanate (EGMT), and the structure templating by micro‐phase separation of a di‐block copolymer. Different temperatures around 100 °C are investigated. The nanostructure morphology is examined with scanning electron microscopy, whereas the crystal structure and thin film compositions are examined by scattering methods. Optoelectronic measurements reveal the band‐gap energies and sub‐band states of the titania films. An optimum titania thin film is created at temperatures not higher than 90 °C, regarding sponge‐like morphology with pore sizes of 25–30 nm, porosity of up to 71 % near the sample surface, and crystallinity of titania in the rutile phase. The low temperature during synthesis is of high importance for photovoltaic applications and renders the resulting titania films interesting for future energy solutions.     

The hypertoric intersection cohomology ring

We present a functorial computation of the equivariant intersection cohomology of a hypertoric variety, and endow it with a natural ring structure. When the hyperplane arrangement associated with the hypertoric variety is unimodular, we show that this ring structure is induced by a ring structure on the equivariant intersection cohomology sheaf in the equivariant derived category. The computation is given in terms of a localization functor which takes equivariant sheaves on a sufficiently nice stratified space to sheaves on a poset. T. Braden’s research was supported in part by NSF grant DMS-0201823. N. Proudfoot’s research was supported in part by an NSF Postdoctoral Research Fellowship and NSF grant DMS-0738335.     

Elastic and inelastic neutron scattering studies on the tetragonal to orthorhombic phase transition of La2−x Sr x CuO4±δ

The phase transition from the tetragonal to the orthorhombic structure in La_2–x Sr _x CuO₄₊ has been studied combining elastic and inelastic neutron scattering and specific heat measurements on the same well characterized crystals. This analysis focusses on the comparison between undoped and doped compounds. The proportionality between the orderparameter and the orthorhombic strain, predicted by the Landau theory, can be confirmed in La_2–x Sr _x CuO₄₊ in a wide concentration and temperature range. We observe different values for the critical exponent for doped superconducting and undoped insulating crystals. The temperature dependent study of the soft modes on a metallic superconducting crystal reveals an extremely large temperature range where this mode is strongly anharmonic. The comparison with previously published data shows that the frequencies of the soft modes at low temperatures decrease with doping, i.e. with increasing charge carrier concentration.