Ab initio study of sodium intercalation into metal oxides

Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO₂ and fixing the α-NaFeO₂ layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M⁴⁺ to M³⁺.     

Recent developments in algebraic combinatorics

We survey three recent developments in algebraic combinatorics. The first is the theory of cluster algebras and the Laurent phenomenon of Sergey Fomin and Andrei Zelevinsky. The second is the construction of toric Schur functions and their application to computing three-point Gromov-Witten invariants, by Alexander Postnikov. The third development is the construction of intersection cohomology for nonrational fans by Paul Bressler and Valery Lunts and its application by Kalle Karu to the torich-vector of a nonrational polytope. We also briefly discuss the “half hard Lefschetz theorem” of Ed Swartz and its application to matroid complexes. Partially supported by NSF grant #DMS-9988459.     

Stability of Markovian structure observed in high frequency foreign exchange data

Contrary to the common sense in economics and financial engineering, price fluctuations at very fine level of motion exhibit various evidences against the efficient market hypothesis. We attempt to investigate this issue by studying extensive amount of foreign currency exchange data for over five years at the finest level of resolution. We specifically focus on the proposed stability in binomial conditional probabilities originally found in much smaller examples of financial time series. In order to handle very large data, we have written an efficient program in C that automatically generates those conditional probabilities. It is found that the stability is maintained for extremely large time duration that covers almost the entire period. Based on the length of conditions for which the conditional probabilities are distinguishable each other, we identify the length of memory being less than 3 movements.     

Fluctuation Theory for a Three-Dimensional Model of Maxwellian Molecules

Under suitable assumptions, a functional central limit theorem is obtained for a three-dimensional model of Maxwellian molecules. This model is related to a nonlinear Boltzmann-type equation. It will be proved that the family of the distributions induced by fluctuation processes converges weakly.     

Synthesis and characterization of poly(vinyl alcohol)‐graft‐[poly(D,L‐lactide)/poly(D,L‐lactide‐co‐glycolide)] hydrogels

Poly(D ,L ‐lactide) and poly(D ,L ‐lactide‐co‐glycolide) with various composition and with one methacrylate and one carboxylate end group were synthesized and grafted onto poly(vinyl alcohol) (PVA) via the carboxylate group. The graft copolymers were crosslinked via the methacrylate groups using a free radical initiator. The polymer networks were characterized by means of NMR and studied qualitatively by means of IR spectroscopy. The influence of the glycolide content in the polyester grafts and of the number of ester units in the grafts on thermal properties and swellability were studied as well. The high swellability in water is characteristic of all hydrogels. Differential scanning calorimetry (DSC) showed a single glass transition temperature that occurs in the range between 51 and 69 °C. Thermogravimetric analysis (TGA) of the networks showed the main loss in weight in the temperature range between 290 and 370 °C. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4536–4544, 2007     

Reactivity of a Ti–45.9Al–8Nb alloy in air at 700–900°C

A Ti–45.9Al–8Nb (at%) alloy with a lamellar structure (γ+α₂) was oxidised in air at 700, 800, 850 and 900°C in isothermal and thermal cycling conditions. The reaction progress was followed by thermogravimetric measurements. In isothermal conditions the oxidation kinetics followed approximately a parabolic rate law and the rate constants ranged from about 10^–12 kg² m^–4 s^–1 at 700°C to 10^–10 kg² m^–4 s^–1 at 900°C. The oxide scales were built of Al₂O₃ and TiO₂, the former being the main component of the outermost layer. The oxidation behaviour of Ti–45.9Al–8Nb was referred to a commercial titanium alloy, WT4 (Ti–6Al–1Mn), and selected oxidation-resistant alloys.     

Homothetic self-similar solutions of three-dimensional Brans-Dicke gravity

All homothetic self-similar solutions of the Brans-Dicke scalar field in three-dimensional spacetime with circular symmetry are found in closed form.     

A Quantum-Like Description of the Planetary Systems

The Titius–Bode law for planetary distances is reviewed. A model describing the basic features of this rule in the “quantum-like” language of a wave equation is proposed. Some considerations about the ’t Hooft idea on the quantum behavior of deterministic systems with dissipation are discussed.     

Determination of Emodin and Phenolic Acids in the Petioles of Rheum undulatum and Rheum rhaponticum

JPC – Journal of Planar Chromatography – Modern TLC - Emodin and twelve phenolic acids (ellagic, gallic, protocatechuic, homoprotocatechuic, caffeic, p-hydroxybenzoic, p-coumaric,...     

Thermal behavior of the maleic anhydride modified poly(3-hydroxybutyrate)

Poly(3-hydroxybutyrate), PHB has been structurally modified through reaction with maleic anhydride, MA. Transesterification reaction was carried out fixing the PHB and MA and besides time and temperature the concentration of the triethylamine (used as catalyst) was changed. Glass transition, melting and crystallization temperature obtained from DSC curves and thermal degradation temperatures obtained from TG traces were used to evaluate the influence of the reaction conditions on the modification of PHB according to factorial design. On the base of the results the optimum conditions are to perform the PHB modification reaction with MA reaction at 110°C for 1 h with 5% v/v triethylamine.