A nonlinear PSE method for two-fluid shear flows with complex interfacial topology

A nonlinear stability method is developed for laminar two-fluid shear flows which undergo changes in the interface topology. The method is based on the nonlinear parabolized stability equations (PSE) and incorporates a scalar-based interface capturing (IC) scheme in order to track complex deformations of the fluid interface. In doing so, the formulation retains the flexibility and physical insight of instability-wave based methods, while providing hydrodynamic modeling capabilities similar to direct numerical calculations: the new formulation, referred to as the IC-PSE, can capture the nonlinear physical mechanisms responsible for generating large-scale, two-fluid structures, without incurring heavy computational costs. This approach is valid for spatially developing, laminar two-fluid shear flows which are convectively unstable, and can naturally account for the growth of finite amplitude interfacial waves, along with changes to the interfacial topology. We demonstrate the accuracy of the IC-PSE against direct Navier–Stokes calculations for two-fluid mixing layers with density and viscosity stratification. The comparisons show that the IC-PSE can predict the dynamics of the instability waves and capture the formation of Kelvin–Helmholtz vortex rolls and large scale liquid structures, at an order of magnitude less computational cost than direct calculations. The role of surface tension in the IC-PSE formulation is shown to be valid for flows in which Re/We ? 1, and the method accurately predicts the formation and non-linear evolution of flow structures in this limit. This is demonstrated for spatially developing mixing layers which lead to vortex roll-up and ligaments, prior to droplet formation. The pinch-off process itself is a high surface tension phenomenon and in not considered herein. The method also accurately captures the effect of interfacial waves on the mean flow, and the topology changes during the non-linear evolution of the two-fluid structures.     

Simultaneous velocity and temperature measurements in gaseous flow fields using the VENOM technique

We present an initial demonstration of simultaneous velocity and temperature mapping in gaseous flow fields using a new nitric oxide planar laser-induced fluorescence-based method. The vibrationally excited NO monitoring (VENOM) technique is an extension of two-component velocimetry using vibrationally excited NO generated from the photodissociation of seeded NO(2) [Appl. Opt. 48, 4414 (2009)], where the two sequential fluorescence images are obtained probing two different rotational states to provide both velocity and temperature maps. Comparisons to computational fluid dynamics simulations show that the initial VENOM measurements provide good velocity and temperature maps in the relatively high-density regions of the flow, where the rms uncertainties are approximately 5% for velocity and 9% for temperature.     

Newton's method for nonlinear ordinary and partial differential equations

A unified approach is presented for proving the local, uniform and quadratic convergence of the approximate solutions and a-posteriori error bounds obtained by Newton's method for systems of nonlinear ordinary or partial differential equations satisfying an inverse-positive property. An important step is to show that, at each iteration, the linearized problem is inverse-positive. Many classes of problems are shown to satisfy this property. The convergence proofs depend crucially on an error bound derived previously by Rosen and the author for quasilinear elliptic, parabolic and hyperbolic problems.     

Unsteady fluid dynamic forces on a simply-supported circular cylinder of finite length conveying a flow,with applications to stability analysis

An exact analytic expression for the unsteady fluid pressure acting on the internal walls of a simply-supported circular cylindrical tube of finite length, carrying flow, is presented. The generalized force coefficients corresponding to specific modes of deformation are given explicitly. The results are applied to two problems: (1) the interaction of flow and buckling of thin-walled cylindrical shells subjected to lateral pressure and/or end thrust; (2) the aeroelastic stability of the shells. The second problem is aimed at resolving some controversy about post-divergence flutter oscillation of cylindrical shells or plates exposed to a subsonic flow. The shell equation, of the Morley type, is solved by Galerkin's method and an analytic approach is used to examine the stability of the system. It is important that damping be taken into account in the analysis. The undeformed configuration is always unstable when the flow speed exceeds the minimum divergence boundary.     

Doppler-broadening measurements of microvoids at the Au/GaAs interface

Recent positron lifetime studies made on the Au/GaAs interface with an applied electric field returning a significant fraction of bulk implanted positrons to the interface have revealed the presence of microvoids( 1 nm diameter) at the interface. In this work an attempt has been made to study these microvoids by observing the Doppler broadening on the annihilation radiation coming from them. This is done both by observing theS-parameter as a function of applied bias and by applying the generalized least-squares method to the deconvolution of the annihilation radiation lineshape. The general conclusion is that the Doppler-broadened data are consistent with the majority of positrons trapping into microvoids, probably associated with grain boundaries. The data suggest that these open volume defects are more associated with the Au film rather than the Au-Ga alloyed interfacial region.Paper presented at the 132nd WE-Heraeus-Seminar on Positron Studies of Semiconductor Defects, Halle, Germany, 29 August to 2 September 1994     

Some new domains with complete Kähler metrics of negative curvature

We add to the known examples of complete Kähler manifolds with negative sectional curvature by showing that the following three classes of domains in euclidean spaces also belong: perturbations of ellipsoidal domains in ?ⁿ, intersections of complex-ellipsoidal domains in ?², and intersections of fractional linear transforms of the unit ball in ?². In the process, we prove the following theorem in differential geometry: in the intersection of two complex-ellipsoidal domains in ?², the sum of the Bergman metrics is a Kähler metric with negative curvature operator.     

Dispirocycles: Platforms for the Construction of High-Performance Host Materials for Phosphorescent Organic Light-Emitting Diodes

Spirocyclic compounds such as 9,9′-spirobifluorene (SBF) are becoming more and more attractive for use as host materials in organic optoelectronic devices. Herein, two dispirocycles, namely, dispiro[fluorene-9,9′-anthracene-10′,9′′-fluorene] and 10,10′′-diphenyl-10H,10′′H-dispiro[acridine-9,9′-anthracene-10′,9′′-acridine], were used for the construction of host materials 1 – 4 . The attached triphenylamino group determines the thermal, photophysical, electrochemical, and charge-transport properties, and therefore they have different electroluminescent performances. The device based on dispiro[fluorene-9,9′-anthracene-10′,9′′-fluorene] ( 2 ) and 10,10′′-diphenyl-10H,10′′H-dispiro[acridine-9,9′-anthracene-10′,9′′-acridine] ( 3 ) molecular platforms exhibited external quantum efficiencies of greater than 21 % with a very high power efficiency (≈100 lm W⁻¹). These results demonstrate the potential of extending the application of dispirocyclic molecular platforms with inherent rigidity for developing highly efficient host materials for organic light-emitting diodes.     

Synthesis and Systematic Structural Analysis of Cationic Half-Sandwich Ruthenium Chalcogenocarbonyl Complexes

Although the chemistry of transition-metal complexes with carbonyl (CO) and thiocarbonyl (CS) ligands has been well developed, their heavier analogues, namely selenocarbonyl (CSe) and tellurocarbonyl (CTe) complexes remain scarce. The limited availability of such CSe and CTe complexes has so far hampered our understanding of the differences between such chalcogenocarbonyl (CE: E=O, S, Se, Te) ligands. Herein, we report the synthesis and properties of a series of cationic half-sandwich ruthenium CE complexes of the type [CpRu(CE)(H₂IMes)(CNCH₂Ts)][BAr^F₄] (Cp=η⁵-C₅H₅⁻; H₂IMes=1,3-dimesitylimidazolin-2-ylidene; Ar^F=3,5-(CF₃)₂C₆H₃). A combination of X-ray diffraction analyses, NMR spectroscopic analyses, and DFT calculations revealed an increasing π-accepting ability of the CE ligands in the order O<S<Se<Te. A variable-temperature NMR analysis of the thus obtained chiral-at-metal CE complexes indicated high stereochemical stability.     

Integrating Biomass into the Organonitrogen Chemical Supply Chain: Production of Pyrrole and d-Proline from Furfural

Production of renewable, high-value N-containing chemicals from lignocellulose will expand product diversity and increase the economic competitiveness of the biorefinery. Herein, we report a single-step conversion of furfural to pyrrole in 75 % yield as a key N-containing building block, achieved via tandem decarbonylation–amination reactions over tailor-designed Pd@S-1 and H-beta zeolite catalytic system. Pyrrole was further transformed into dl -proline in two steps following carboxylation with CO₂ and hydrogenation over Rh/C catalyst. After treating with Escherichia coli, valuable d -proline was obtained in theoretically maximum yield (50 %) bearing 99 % ee. The report here establishes a route bridging commercial commodity feedstock from biomass with high-value organonitrogen chemicals through pyrrole as a hub molecule.     

Synthetic Strategies of Carbon Nanobelts and Related Belt-Shaped Polycyclic Aromatic Hydrocarbons

The development of carbon nanobelts and related belt-shaped polycyclic aromatic hydrocarbons has gained momentum in recent years. This Minireview focuses on the synthetic strategies used in constructing these aesthetically appealing molecular nanocarbons. Examples of carbon nanobelts and related belt-shaped polycyclic aromatic hydrocarbons reported in recent years as well as some representative synthetic attempts in earlier times are discussed.