Improvement in interactive remote in situ visualization using SIMD-aware function parser and asynchronous data I/O

Journal of Visualization - An in situ visualization system based on the particle-based volume rendering offers a highly scalable and flexible visual analytics environment based on multivariate...     

Correlation factor in tracer diffusion for high tracer concentrations

The meaning of cross terms in the Onsager equation for diffusion in multicomponent systems is clarified based on the Path Probability method of irreversible statistical mechanics. The problems involved in increasing the concentration of tracer atoms in tracer diffusion experiments are discussed. Some comments on the correlation function approach with respect to the present problem are also added.     

Generation of 16-fs, 10-TW pulses at a 10-Hz repetition rate with efficient Ti:sapphire amplifiers

We describe a two-stage Ti:sapphire amplifier laser system that is capable of producing 16-fs pulses of 10-TW peak power at a 10-Hz repetition rate. Thin solid etalons were used to control gain narrowing and gain saturation during amplification. A cylindrical mirror expander was used to permit compensation of the dispersion of the system. An efficiency greater than 90% of the theoretical maximum for conversion of 532-nm pump light to 790-nm radiation is demonstrated.     

Cyclophane with eclipsed pyrene units enables construction of spin interfaces with chemical accuracy

Advanced functionality in molecular electronics and spintronics is orchestrated by exact molecular arrangements at metal surfaces, but the strategies for constructing such arrangements remain limited. Here, we report the synthesis and surface hybridization of a cyclophane that comprises two pyrene groups fastened together by two ferrocene pillars. Crystallographic structure analysis revealed pyrene planes separated by ∼352 pm and stacked in an eclipsed geometry that approximates the rare configuration of AA-stacked bilayer graphene. We deposited this cyclophane onto surfaces of Cu(111) and Co(111) at submonolayer coverage and studied the resulting hybrid entities with scanning tunnelling microscopy (STM). We found distinct characteristics of this cyclophane on each metal surface: on non-magnetic Cu(111), physisorption occurred and the two pyrene groups remained electronically coupled to each other; on ferromagnetic Co(111) nanoislands, chemisorption occurred and the two pyrene groups became electronically decoupled. Spin-polarized STM measurements revealed that the ferrocene groups had spin polarization opposite to that of the surrounding Co metal, while the pyrene stack had no spin polarization. Comparisons to the non-stacked analogue comprising only one pyrene group bolster our interpretation of the cyclophane''s STM features. The design strategy presented herein can be extended to realize versatile, three-dimensional platforms in single-molecule electronics and spintronics.

A chemical strategy for the bottom-up construction of 3D spin interfaces is presented. Scanning tunnelling microscopy reveals distinct electronic features of a cyclophane with precisely designed pi-stacking on ferromagnetic Co(111) nanoislands.     

Autothermal reforming of biogas over a monolithic catalyst

This study focused on measurement of the autothermal reforming of biogas over a Ni based monolithic catalyst. The effects of the steam/CH₄ (S/C) ratio, O₂/CH₄ (O₂/C) ratio and temperature were investigated. The CH₄ conversions were higher under all examined temperatures than the equilibrium conversion calculated using the blank outlet temperature, because the catalyst layer was heated by the exothermic catalytic partial oxidation reaction. The CH₄ conversion increased with increasing O₂/C ratio. Moreover, the CH₄ conversion was higher than the equilibrium conversion calculated using the blank outlet temperature for O₂/C>0.42 and reached about 100% at O₂/C=0.55. However, the hydrogen concentration decreased for O₂/C>0.45 because hydrogen was combusted to steam in the presence of excess oxygen. On the other hand, the hydrogen and CO₂ concentrations increased and the CO concentration decreased with increasing S/C ratio. As a result, it was found that the highest hydrogen concentrations and CH₄ conversions were attained at the O₂/C ratios of 0.45-0.55 and the S/C ratios of 1.5-2.5. Moreover, the H₂/CO ratio could also be controlled in the range from about 2 to 3.5 to give at least 90% CH₄ conversion, by regulating the O₂/C or S/C ratios.     

Highly Enhanced Emission of Visible Light from Core–Dual‐Shell‐Type Hybridized Nanoparticles

Core–dual‐shell‐type hybridized nanoparticles (NPs) having Au‐core/dye‐doped silica inner shell/Au outer shell are successfully fabricated by developing a biphasic process that is a kind of so‐called “one‐pot” method. The resulting hybridized NPs exhibit evidently about 20‐fold enhancement of fluorescence intensity, increase in fluorescence quantum yield, and decrease in fluorescence lifetime. These effects depend on the metal nanostructure being optimized, compared with the reference hybridized NPs with neither a Au‐core nor a Au outer shell, due to the gap‐mode effect induced by localized surface plasmon resonance in the core–dual‐shell‐type MIM‐like nanostructure. More detailed elucidation concerning the enhancement mechanism will provide the possibility of photonic device application, for example as a high‐performance point light source, nanolaser, or sensor for bioimaging in the visible region in the near future.     

Intermolecular propargyl/allenyl group transfer from Pd(II) to Pt(0) and Pt(II) to Pd(0). Key reaction in metal-catalyzed isomerization between propargyl and allenyl metal complexes

Isomerization of phenyl-substituted propargylplatinum(II) complex, trans-Pt(CH₂CCPh)(Cl)(PPh₃)₂ (1) to allenyl complex, trans-Pt(CPh=C=CH₂)(Cl)(PPh₃)₂ (2) was found to be catalyzed by zerovalent complex Pd(PPh₃)₄. The reaction was proposed to proceed through the transfer of the propargyl/allenyl ligand both from Pt(II) to Pd(0) and Pd(II) to Pt(0). The former transfer, which seemingly has a thermodynamic disadvantage, has unambiguously been confirmed to take place; treatment of 1 with Pd(PPh₃)₄ or a mixture of Pd₂(dba)₃ and PPh₃ resulted in the formation of Pd(I) complex, Pd₂(μ-PhCCCH₂)(μ-Cl)(PPh₃)₂ which lies in equilibrium with a mixture of propargyl/allenylpalladium(II) and Pd(0) complexes.     

Modulating Photo‐ and Electroluminescence in a Stimuli‐Responsive π‐Conjugated Donor–Acceptor Molecular System

Functional organic materials that display reversible changes in fluorescence in response to external stimuli are of immense interest owing to their potential applications in sensors, probes, and security links. While earlier studies mainly focused on changes in photoluminescence (PL) color in response to external stimuli, stimuli‐responsive electroluminescence (EL) has not yet been explored for color‐tunable emitters in organic light‐emitting diodes (OLEDs). Here a stimuli‐responsive fluorophoric molecular system is reported that is capable of switching its emission color between green and orange in the solid state upon grinding, heating, and exposure to chemical vapor. A mechanistic study combining X‐ray diffraction analysis and quantum chemical calculations reveals that the tunable green/orange emissions originate from the fluorophore's alternating excited‐state conformers formed in the crystalline and amorphous phases. By taking advantage of this stimuli‐responsive fluorescence behavior, two‐color emissive OLEDs were produced using the same fluorophore in different solid phases.