Impact response of an interface crack in a hybrid piezoelectric laminate

Summary  In a hybrid laminate containing an interfacial crack between piezoelectric and orthotropic layers, the dynamic field intensity factors and energy release rates are obtained for electro-mechanical impact loading. The analysis is performed within the framework of linear piezoelectricity. By using integral transform techniques, the problem is reduced to the solution of a Fredholm integral equation of the second kind, which is obtained from one pair of dual integral equations. Numerical results for the dynamic stress intensity factor show the influence of the geometry and electric field. Received 29 June 2001; accepted for publication 3 December 2001     

A novel 4‐methylene‐3‐borahomoadamantane: 1,1‐organoboration of an alkyn‐1‐ylsilane using 1‐boraadamantane

1,1‐Dibromo‐2,2‐bis(trimethylsilylethynyl)ethene ( 2 ) reacts with two equivalents of 1‐boraadamantane ( 1 ) by 1,1‐organoboration of both trimethylsilylethynyl groups to give a triene 3 bearing two 4‐methylene‐3‐borahomoadamantane moieties in terminal positions. The triene was characterized by one‐ and two‐dimensional ¹H, ¹¹B, ¹³C and ²⁹Si NMR spectroscopy in solution and X‐ray structural analysis in the solid state. The planes of the C double bond are strongly twisted against each other as a result of the bulky substituents, and the surroundings of the boron atoms deviate from the ideal trigonal planar geometry owing to the tension in the tricyclic frameworks. Copyright © 2006 John Wiley & Sons, Ltd.     

A New Synthesis of Benzofurans from Phenols via Claisen Rearrangement and Ring‐Closing Metathesis

Based on Claisen rearrangement, the double bond isomerization of O‐allyl function together with the formation of O‐vinyl function in one pot, and ring‐closing metathesis (RCM), various phenols were transformed into various benzofurans in good yields.     

Polymorphism in ferroic functional elements

The present study describes an approach for the scale-bridging modeling of ferroic materials as functional elements in micro- and nanoelectronic devices. Ferroic materials are characterized by temperature-dependent complex ordering phenomena of the internal magnetic, electronic, and structural degrees of freedom with several involved length and time scales. Hence, the modelling of such compounds is not straightforward, but relies on a combination of electronic-structure-based methods like ab-initio and density-functional schemes with classical particle-based approaches given by Monte-Carlo simulations with Ising, lattice-gas, or Heisenberg Hamiltonians, which incorporate material-specific parameters both from theory and experiment. The interplay of those methods is demonstrated for device concepts based on electroceramic materials like ferroelectrics and multiferroics, whose functionality is closely related with their propensity towards structural and magnetic polymorphism. In the present case, such scale-bridging techniques are employed to aid the development of an organic field effect transistor on a ferroelectric substrate generated by the self-assembly of field-sensitive molecules on the surfaces of ferroic oxides. Electronic-structure-based methods yield the microscopic properties of the oxide, the surface, the molecules, and the respective interactions. They are combined with classical particle-based methods on a scale-hopping basis. This combination allows to study the morphology evolution during the self-assembly of larger adsorbate arrays on the (defective) oxide surface and to investigate the interplay of low-temperature magnetic ordering phenomena with the ferroelectric functionality at higher temperatures in multiferroic oxides like the hexagonal manganites. The combination of density-functional data with classical continuum modelling also yielded a model Hamiltonian for the quick determination of the properties of a gate structure based on bio-functionalized carbon nanotubes.     

Fringe element reconstruction for front tracking for three‐dimensional incompressible flow analysis

Fringe element reconstruction technique for tracking the free surface in three‐dimensional incompressible flow analysis was developed. The flow field was calculated by the mixed formulation based on a four‐node tetrahedral element with a bubble function at the centroid (P1+/P1). Since an Eulerian approach was employed in this study, the flow front interface was advected by the flow through a fixed mesh. For accurate modelling of interfacial movement, a fringe element reconstruction method developed can provide not only an accurate treatment of material discontinuity but also surface tension across the interface. The effect of surface tension was modelled by imposing tensile stress directly on the constructed surface elements at the flow front interface. To verify the numerical approach developed, the developed algorithm was applied to two examples whose solutions are available in references. Good agreement was obtained between the simulation results and these solutions. Copyright © 2005 John Wiley & Sons, Ltd.     

The variable viscoelasticity oscillator

The complex dynamics of a variable viscoelasticity oscillator is studied using the novel concept of Variable‐Order (VO) Calculus. The damping force in the oscillator varies continuously between the elastic and viscous regimes depending on the position of the mass. The oscillator considered here is composed of a linear spring of stiffness k that inputs a restitutive force F_k = ‐k x, a VO damper of order q(x(t)) that generates a damping force F_q = ‐c_q ??^q(x(t)) x, and a mass m. A modified Runge‐Kutta method is used in conjunction with a trapezoidal numerical integration technique to yield a second‐order accurate method for the solution of the resulting VO Differential Equation (VODE). The VO oscillator is also modelled using a Constant Order (CO) formulation where a number of CO fractional order differentials are weighted to simulate the VO behavior. The CO formulation asymptotically approaches the VO results when a relatively large number of weights is used. For the viscoelastic range of 0 ≤ q ≤ 1, the dynamics of the oscillator is well approximated by the CO formulation when 5 or more fractional terms are included (e.g., 0, 1/4, 1/2, 3/4, and 1).     

Synthesis of conjugated copolymers containing phenothiazinylene vinylene moieties and their electrooptic properties

Four different types of conjugated copolymers, consisting of alternating structures of phenothiazinylene vinylene and phenylene vinylene derivatives such as phenylene vinylene, 1,1′‐biphenyl‐4,4′‐ylene vinylene, 2‐methoxy‐5‐(2‐ethylhexyloxy)‐1,4‐phenylene vinylene, and 9,10‐anthrylene vinylene, were prepared by Horner–Emmons condensation between appropriate diphosphonates and dialdehydes. Single‐layer and double‐layer light‐emitting diodes were fabricated with the synthesized conjugated polymers, and their electroluminescent properties were investigated. Poly(N‐2‐ethylhexyl‐3,6‐phenothiazinylene vinylene‐alt‐9,10‐anthrylene vinylene), containing phenothiazinylene vinylene and anthrylene vinylene as repeat units, emitted a reddish‐orange color with Commission Internationale de l'Eclairage coordinates of x = 0.6173 and y = 0.3814 that was very similar to the National Television System Committee standard red, and it showed a bipolar carrier‐injection/transporting capability caused by electron‐withdrawing anthracene and electron‐donating amino groups. Poly[N‐2‐ethylhexyl‐3,6‐phenothiazinylene vinylene‐alt‐2‐methoxy‐5‐(2‐ethylhexyloxy)‐1,4‐phenylene vinylene], containing phenothiazinylene vinylene and dialkoxy phenylene vinylene moieties, showed excellent hole‐injection/transporting capability. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2502–2511, 2003     

Distribution and dimerization of some μ-imidodiphosphates

The distribution of chelate-forming reagents on a basis of arylimidodiphosphate between different organic solvents and 0.1 mol L⁻¹ HNO₃ has been studied by liquid-liquid extraction of ⁴⁶Sc. The values of dimerization constants K₂ in selected solvents, particularly on the chlorine and chlorine-fluorine hydrocarbon basis as well as distribution constants K_D(HA) have been determined.