Microstructure of fragile metallic glasses inferred from ultrasound-accelerated crystallization in Pd-based metallic glasses

By utilizing ultrasonic annealing at a temperature below (or near) the glass transition temperature Tg, we revealed a microstructural pattern of a partially crystallized Pd-based metallic glass with a high-resolution electron microscopy. On the basis of the observed microstructure, we inferred a plausible microstructural model of fragile metallic glasses composed of strongly bonded regions surrounded by weakly bonded regions (WBRs). The crystallization in WBRs at such a low temperature under the ultrasonic vibrations is caused by accumulation of atomic jumps associated with the beta relaxation being resonant with the ultrasonic strains. This microstructural model successfully illustrates a marked increase of elasticity after crystallization with a small density change and a correlation between the fragility of the liquid and the Poisson ratio of the solid.     

Accurate theoretical study of PS(q) (q = 0,+1,-1) in the gas phase

Highly correlated ab initio methods were used in order to generate the potential energy curves and spin-orbit couplings of electronic ground and excited states of PS and PS(+). We also computed those of the bound parts of the electronic states of the PS(-) anion. We used standard coupled cluster CCSD(T) level with augmented correlation-consistent basis sets, internally contacted multi-reference configuration interaction, and the newly developed CCSD(T)-F12 methods in connection with the explicitly correlated basis sets. Core-valence correction and scalar relativistic effects were examined. Our data consist of a set of spectroscopic parameters (equilibrium geometries, harmonic vibrational frequencies, rotational constants, spin-orbit, and spin-spin constants), adiabatic ionization energies, and electron affinities. For the low laying electronic states, our calculations are consistent with previous works whereas the high excited states present rather different shapes. Based on these new computations, the earlier ultraviolet bands of PS and PS(+) were reassigned. For PS(-) and in addition to the already known anionic three bound electronic states (i.e., X(3)Σ(-), (1)Δ, and 1(1)Σ(+)), our calculations show that the (1)Σ(-), (3)Σ(+), and the (3)Δ states are energetically below their quartet parent neutral state (a(4)Π). The depletion of the J = 3 component of PS(-)((3)Δ) will mainly occur via weak interactions with the electron continuum wave.     

Étude de l’activité catalytique des argiles pontées aluminium,zirconium et cérium dans la synthèse du 2,2-diméthyl-1,3-dioxolane

The purified Tunisian clay G and the commercialized American clay W were pillared with zirconium, aluminum and mixed pillars zirconium–aluminum, cerium–zirconium, cerium–aluminum, and cerium–zirconium–aluminum. These different clays were used in the synthesis of 2,2-dimethyl-1,3-dioxolane 3 by acetalyzation of acetone 2 with ethylene glycol 1 under autogenously pressure and without solvent. Results indicate that the yield of product 3 depends of the nature and the acidity of the clay used and the time of reaction.     

A flux-limiter method for dam-break flows over erodible sediment beds

Finite volume methods for dam-break flows over erodible sediment beds require a monotone numerical flux. In the present study we present a new flux-limiter scheme based on the Lax–Wendroff method coupled with a non-homogeneous Riemann solver and a flux limiter function. The non-homogeneous Riemann solver consists of a predictor stage for the discretization of gradient terms and a corrector stage for the treatment of source terms. The proposed method satisfy the conservation property such that the discretization of the flux gradients and the source terms are well-balanced in the numerical solution of suspended sediment models. The flux-limiter method provides accurate results avoiding numerical oscillations and numerical dissipation in the approximated solutions. Several standard test examples are considered to verify the performance and the accuracy of the proposed method.     

Agler-Commutant Lifting on an Annulus

This note presents a commutant lifting theorem (CLT) of Agler type for the annulus \({\mathbb A}\) . Here the relevant set of test functions are the minimal inner functions on \({\mathbb A}\) —those analytic functions on \({\mathbb A}\) which are unimodular on the boundary and have exactly two zeros in \({\mathbb A}\) —and the model space is determined by a distinguished member of the Sarason family of kernels over \({\mathbb A}\) . The ideas and constructions borrow freely from the CLT of Ball et al. (Indiana Univ Math J 48(2):653–675, 1999) and Archer (Unitary dilations of commuting contractions. PhD thesis, University of Newcastle, 2004) for the polydisc, and Ambrozie and Eschmeier (A commutant lifting theorem on analytic polyhedra. Topological algebras, their applications, and related topics, 83108, Banach Center Publications, vol 67. Polish Academy of Sciences, Warsaw, 2005) for the ball in \({\mathbb C^n}\) , as well as generalizations of the de Branges–Rovnyak construction like found in Agler (On the representation of certain holomorphic functions defined on a polydisc. Topics in operator theory: Ernst D. Hellinger memorial volume, operator theory: advances and applications, vol 48. Birkhäuser, Basel, pp 47–66, 1990) and Ambrozie et al. (J Oper Theory 47(2):287–302, 2002). It offers a template for extending the result in McCullough and Sultanic (Complex Anal Oper Theory 1(4):581–620, 2007) to infinitely many test functions. Among the needed new ingredients is the formulation of the factorization implicit in the statement of the results in Ball et al. (Indiana Univ Math J 48(2):653–675, 1999) and Archer (Unitary dilations of commuting contractions. PhD thesis, University of Newcastle, 2004) and McCullough and Sultanic (Complex Anal Oper Theory 1(4):581–620, 2007) in terms of certain functional Hilbert spaces of Hilbert space valued functions.     

Hirzebruch–Milnor classes of complete intersections

We prove a new formula for the Hirzebruch–Milnor classes of global complete intersections with arbitrary singularities describing the difference between the Hirzebruch classes and the virtual ones. This generalizes a formula for the Chern–Milnor classes in the hypersurface case that was conjectured by S. Yokura and was proved by A. Parusiński and P. Pragacz. It also generalizes a formula of J. Seade and T. Suwa for the Chern–Milnor classes of complete intersections with isolated singularities.     

Structural development of benzhydrol-type 1'-acetoxychavicol acetate (ACA) analogs as human leukemia cell-growth inhibitors based on quantitative structure-activity relationship (QSAR) analysis

Benzhydrol-type analogs of 1'-acetoxychavicol acetate (ACA) were developed as inhibitors of human leukemia HL-60 cell growth based on quantitative structure-activity relationship (QSAR) analysis. An analog containing an anthracenyl moiety (8) was a potent inhibitor with the IC(50) value of 0.12 microM.     

Photoinduced depolymerization in poly(olefin sulfone) films comprised of volatile monomers doped with a photobase generator

Photoinduced depolymerization of poly(olefin sulfone)s mixed with a photobase generating compound was investigated. Irradiation of 254 nm UV light to films comprising of a mixture of a photobase generating compound and poly(olefin sulfone)s with volatile monomers caused photoinduced depolymerization and the irradiated part of the film vaporized. The effect of the poly(olefin sulfone) structure on the photoinduced depolymerization process was investigated. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012