Binary decision rules for multistage adaptive mixed-integer optimization

Mathematical Programming - Decision rules provide a flexible toolbox for solving computationally demanding, multistage adaptive optimization problems. There is a plethora of real-valued decision...     

Polymerization of allyldimethyldodecylammonium bromide in micellar and isotropic media

To study the effect of micellar aggregation upon polymerization and polymer products, the polymerization of the micelle forming monomer allyldimethyldodecylammonium bromide (I) was investigated under both micellar and isotropic conditions. NMR spectroscopy and fluorescence quenching were employed to elucidate the structural characteristics and molecular weight of the polymer obtained by γ-ray irradiation. It was found that (I) undergoes effective polymerization in the micellar state, producing a polymer which consists of a mixture of head to tail and head to head configurations at the ratio 85/15, and has a mean molecular weight of 11,000 ± 1000 daltons.     

Angular distributions of photoelectrons in resonantly enhanced multiphoto ionization via the 7s[1 1/2]0 1 and 8s[1 1/2]0 1 states of Xe

Photoelectron angular distributions have been measured for the three-photon resonant one-photon ionization, (3+1), of Xe via the 7s[1 1/2]⁰ ₁ and 8s[1 1/2]⁰ ₁ states. The results are in good agreement with the theoretical predictions of Tang and Lambropoulos [13] for the 8s[1 1/2]⁰ ₁, but not for the 7s[1 1/2]⁰ ₁ state. Furthermore, the results are compared to those which have been obtained by Blazewicz et al. [1] for the three-photon resonant two-photon ionization, (3+2), of Xe via the 6s[1 1/2]⁰ ₁ state.     

Modification of multiphoton ionization spectra via third harmonic generation in focused laser beams

The modification of multiphoton ionization spectra through third harmonic generation in focused laser beam geometries is reported. A strong enhancement of the ionization peaks corresponding to the decay of thenf' autoionizing series of Kr and the observation of a double resonance in Xe, which is missing in low atomic density spectra, is shown to originate from excitation channels involving absorption of third harmonic photons. This excitation is demonstrated to occur in a significantly extended volume outside the focal region, thus strongly increasing the ionization yield.     

New insights into ethene epoxidation on two oxidized Ag[111] surfaces

Reaction mechanisms and activation energies for the complete conversion of ethene to ethene epoxide on two recently characterized oxidized Ag{111} surfaces have been determined from density functional theory. On both surfaces, epoxidation proceeds through a two-step nonconcerted mechanism via an oxametallacycle intermediate. The key implications are that both surfaces are active and that epoxidation can take place over a wide O coverage regime.     

A New Approach for the Photosynthetic Antenna–Reaction Center Complex with a Model Organized Around an s‐Triazine Linker

Two new artificial mimics of the photosynthetic antenna‐reaction center complex have been designed and synthesized (BDP‐H₂P‐C₆₀ and BDP‐ZnP‐C₆₀). The resulting electron‐donor/acceptor conjugates contain a porphyrin (either in its free‐base form (H₂P) or as Zn‐metalated complex (ZnP)), a boron dipyrrin (BDP), and a fulleropyrrolidine possessing, as substituent of the pyrrolidine nitrogen, an ethylene glycol chain terminating in an amino group C₆₀‐X‐NH₂ (X=spacer). In both cases, the three different components were connected by s‐triazine through stepwise substitution reactions of cyanuric chloride. In addition to the facile synthesis, the star‐type arrangement of the three photo‐ and redox‐active components around the central s‐triazine unit permits direct interaction between one another, in contrast to reported examples in which the three components are arranged in a linear fashion. The energy‐ and electron‐transfer properties of the resulting electron‐donor/acceptor conjugates were investigated by using UV/Vis absorption and emission spectroscopy, cyclic voltammetry, and femtosecond transient absorption spectroscopy. Comparison of the absorption spectra and cyclic voltammograms of BDP‐H₂P‐C₆₀ and BDP‐ZnP‐C₆₀ with those of BDP‐H₂P, BDP‐ZnP and BDP‐C₆₀, which were used as references, showed that the spectroscopic and electrochemical properties of the individual constituents are basically retained, although some appreciable shifts in terms of absorption indicate some interactions in the ground state. Fluorescence lifetime measurements and transient absorption experiments helped to elucidate the antenna function of BDP, which upon selective excitation undergoes a rapid and efficient energy transfer from BDP to H₂P or ZnP. This is then followed by an electron transfer to C₆₀, yielding the formation of the singlet charge‐separated states, namely BDP‐H₂P ^.+‐ C₆₀ ^.? and BDP‐ZnP ^.+‐ C₆₀ ^{. ?}. As such, the sequence of energy transfer and electron transfer in the present models mimics the events of natural photosynthesis.     

On the feasibility of performing non-linear autocorrelation with attosecond pulse trains

We present experimental results in which a second-order effect, namely two-photon ionization of atomic He induced by a superposition of harmonics, is observed. The harmonics are generated in a Xe gas-jet using a 790-nm 10-Hz femtosecond Ti:sapphire laser and are subsequently focused into a He gas-jet with a Kirkpatrick–Baez arrangement. The superposition is formed by using a thin In filter and it comprises the 7th to 13th harmonics. Solving the time-dependent Schrödinger equation for He in a polychromatic laser field, the He ⁺ ion yield is calculated as a function of the total XUV intensity. Using the calculated yield and taking into account the focusing and transmission properties of the arrangement, the number of He ⁺ ions produced per laser pulse is estimated and is found to be in reasonable agreement with its measured value. The total number of ions produced non-resonantly follows a nearly quadratic dependence on the harmonic intensity, thus establishing the feasibility of a second-order auto-correlation measurement of the superposition of harmonics, i.e., of a direct temporal characterization of attosecond pulse trains.     

Charge-state resolved above threshold ionization

Photoelectron energy resolved spectra recorded in coincidence with singly and doubly ionized atoms are reported for the interaction of xenon with 60 fs laser pulses at 800 nm and 1x10(14) W/cm(2). Double ionization contributions in the spectrum have been established. The appearance of a single ionization plateau in above threshold ionization is verified. A hotter electron distribution is found for the double ionization.     

Effects of metal irises on the guided-mode properties in asymmetrical slab waveguides

The diffraction phenomenon caused by metal transverse irises placed into an asymmetrical slab waveguide is examined by using the integral equation method. We concentrate on the possibility of controlling the radiation characteristics of the structure by changing the irises positions and the slab waveguide asymmetry. The aperture electric-field distribution is expressed in terms of a finite series of Chebyshev polynomials. The dominant TE guided-mode reflection and transmission coefficients, the near-field distribution and the far-field radiation pattern are calculated, while numerical results are presented for several cases of asymmetrical slab waveguides and different irises’ positions.