Design and optimization of modified simplex methods

Four test functions are used to evaluate different modifications of the modified simplex method and to optimize the contraction, reflection and expansion parameters. The evaluation shows that some of the modifications and the optimization of the parameters result in a simplex method that has gained in convergence ability, with some improvement in speed.     

X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water

We use x-ray emission spectroscopy to examine the influence of the intermolecular interaction on the local electronic structure of liquid water. By comparing x-ray emission spectra of the water molecule and liquid water, we find a strong involvement of the a(1)-symmetry valence-orbital in the hydrogen bonding. The local electronic structure of water molecules, where one hydrogen bond is broken at the hydrogen site, is separately determined. Our results provide an illustration of the important potential of x-ray emission spectroscopy for elucidating basic features of liquids.     

Sol-Gel Synthesis Route for the Preparation of Y(Ba1−x Sr x )2Cu4O8 Superconducting Oxides

Superconducting oxide ceramics of composition Y(Ba_1–x Sr _x )₂Cu₄O₈ (x = 0.00, 0.10, and 0.20) have been prepared by a simple sol-gel method based on the complexation of metal ions in aqueous medium, by chelating acetate and tartarate ligands. Homogeneous sols were obtained by complexing copper ions with tartaric acid, which prevented the flocculation of copper acetate during the gelation process. Single-phase bulk samples were obtained after firing the mixed-metal polymeric acetate-tartarate precursor to 835°C for 70 h in flowing oxygen atmosphere. Thermal decomposition of the gels was studied by thermogravimetry. Effect of strontium substitution on the properties of the compounds was studied by X-ray powder diffraction, electron microscopy, X-ray photoemission spectroscopy and resistivity measurements. These data indicate that nearly monophasic Y(Ba_1–x Sr _x )₂Cu₄O₈ superconducting samples were obtained for x < 0.30. The Sr-doping in the YBa₂Cu₄O₈ (Y-124) phase shows a pronounced effect on the superconducting properties enhancing the critical temperature from 78 K (for the non-substituted sample) to 88 K (for Y(Ba_1–x Sr _x )₂Cu₄O₈).     

Flocculation behavior of asphaltenes in solvent/nonsolvent systems

Diffusion coefficients of asphaltenes dissolved in two aromatic solvents, toluene-d(8) or ethylbenzene-d(10), were measured with the pulsed-field gradient spin echo nuclear magnetic resonance (PFG-SE NMR) technique upon addition of flocculant (pentane-d(12) or heptane-d(16)). It was observed that the change in the diffusion coefficients, as a function of amount of added flocculant, was small in the concentration interval studied (up to 30 wt% alkane). Complementary kinetic flocculation studies were made at alkane additions above 55 wt%. The initial change in turbidity upon the addition of alkane was measured with an UV-VIS spectrophotometer. The obtained stability ratio, W, showed that asphaltenes were least stable in the ethylbenzene-pentane system and most stable in the toluene-heptane system. These findings were in agreement with the PFG-SE NMR. When combining the results from the two different techniques it appeared as if there was a dramatic increase in flocculation above a certain "threshold concentration" of added alkane. Furthermore, the flocculation appeared to be reaction controlled until as much as 63 wt% of n-pentane or, alternatively, 68 wt% of n-heptane had been added to the systems, after which the flocculation became primarily diffusion controlled. Finally, careful relaxation measurements showed that the asphaltenes displayed two distinctly different transverse (T(2)) relaxation times (most probably averages), one at 0.6 ms and the other at 7 ms.     

Spatial quantum beats in vibrational resonant inelastic soft x-ray scattering at dissociating states in oxygen

Resonant inelastic soft x-ray scattering (RIXS) spectra excited at the 1σ(g) → 3σ(u) resonance in gas-phase O2 show excitations due to the nuclear degrees of freedom with up to 35 well-resolved discrete vibronic states and a continuum due to the kinetic energy distribution of the separated atoms. The RIXS profile demonstrates spatial quantum beats caused by two interfering wave packets with different momenta as the atoms separate. Thomson scattering strongly affects both the spectral profile and the scattering anisotropy.     

Cationic ester-containing gemini surfactants: determination of aggregation numbers by time-resolved fluorescence quenching

The micellar aggregation number of a series of ester-containing gemini surfactants has been determined with steady state and with time-resolved fluorescence quenching. The latter method gave values of aggregation number about twice those obtained with the former method. It was found that the length of the spacer was the most important factor affecting the aggregation number. The length and the nature of the surfactant alkyl chains were of less importance in spite of the fact that the length of the alkyl chains strongly affects the solution properties of the unimers.     

Evidence for stratification of deuterium-tritium fuel in inertial confinement fusion implosions

Measurements of the D(d,p)T (dd) and T(t,2n)(4)He (tt) reaction yields have been compared with those of the D(t,n)(4)He (dt) reaction yield, using deuterium-tritium gas-filled inertial confinement fusion capsule implosions. In these experiments, carried out on the OMEGA laser, absolute spectral measurements of dd protons and tt neutrons were obtained. From these measurements, it was concluded that the dd yield is anomalously low and the tt yield is anomalously high relative to the dt yield, an observation that we conjecture to be caused by a stratification of the fuel in the implosion core. This effect may be present in ignition experiments planned on the National Ignition Facility.     

High strain thermomechanical properties of IBMA-functionalized poly(butyl acrylate) films

Batch emulsion polymerization was used in order to obtain latexes from a mixture of butyl acrylate (ca. 90% mole), and a hydrophobic crosslinkable functional monomer called N-isobutoxymethyl acrylamide (ca. 10% mole). Films were then cast from these latexes, and their thermomechanical properties were studied before and after a heat treatment intended to provoke crosslinking of the functional groups. The differential thermal analysis and the dynamic mechanical analysis of the film samples proved that the functional monomer copolymerized with butyl acrylate; the dynamic mechanical analysis revealed also that crosslinking took place after the heat treatment. Different kinds of high strain experiments (among which there were stress relaxation tests) were carried out in a tensile testing machine Important differences were thus shown to appear between the “as-dried” and “annealed” samples. In the case of stress relaxation experiments, simple mechanical models were used in order to fit the experimental data, both during the stretching experiment and the stress relaxation following it. The analysis of the high-strain experiments and their simulation led to the conclusion that the films contained high molecular weight polymers having a broad molecular weight distribution, and that their crosslinking enhanced the entropic elastic behavior, even though a viscoelastic, large relaxation time contribution was kept; the hypothesis of its coming from a trapped-entanglement effect was proposed.     

Differences in the fatty acid composition of KB-cells and gingival keratinocytes is culture medium additive dependent

The influence of culture medium additives foetal bovine serum (FBS), serum effective substitutes (SES) and human autologous serum on the fatty acid profile of KB-cells and human gingival keratinocytes was examined. The KB-cells were cultivated in RPMI medium added with FBS or SES and the gingival keratinocytes in D-MEM added with FBS or human autologous serum. Two days before the cells were prepared for gas chromatography (GC), the media were changed to serum- and antibiotic-free media. Whole fatty acids of the cells were analysed using GC and the fatty acid profiles were compared. KB-cells as well as gingival keratinocytes changed their fatty acid composition, according to the medium additive used. Significant differences were observed. In the case of KB-cells cultivated with SES the fatty acid changes suggest an increase of the membrane fluidity. Corresponding and significant differences were observed with gingival keratinocytes cultivated in medium added with human autologous serum: the membrane fluidity of the gingival keratinocytes was increased. It is supposed that an increased membrane fluidity caused by a different fatty acid spectrum of the host cell may relate to mechanisms of bacterial adhesion. Consequently, in vitro studies on invasion and adhesion of bacteria or virus are dependent on the medium used. Further analyses are necessary of the functional effects caused by differences in the content of specific FAs, especially with regard to the application of cultivated cells in the field of tissue engineering.     

Current-induced two-level fluctuations in pseudo-spin-valve (Co/Cu/Co) nanostructures

Two-level fluctuations of the magnetization state of pseudo-spin-valve pillars Co(10 nm)/Cu(10 nm)/Co(30 nm) embedded in electrodeposited nanowires ( approximately 40 nm in diameter, 6000 nm in length) are triggered by spin-polarized currents of 10(7) A/cm(2) at room temperature. The statistical properties of the residence times in the parallel and antiparallel magnetization states reveal two effects with qualitatively different dependences on current intensity. The current appears to have the effect of a field determined as the bias field required to equalize these times. The bias field changes sign when the current polarity is reversed. At this field, the effect of a current density of 10(7) A/cm(2) is to lower the mean time for switching down to the microsecond range. This effect is independent of the sign of the current and is interpreted in terms of an effective temperature for the magnetization.