16+ spin-gap isomer in 96Cd

A β-decaying high-spin isomer in (96)Cd, with a half-life T(1/2)=0.29(-0.10)(+0.11) s, has been established in a stopped beam rare isotope spectroscopic investigations at GSI (RISING) experiment. The nuclei were produced using the fragmentation of a primary beam of (124)Xe on a (9)Be target. From the half-life and the observed γ decays in the daughter nucleus, (96)Ag, we conclude that the β-decaying state is the long predicted 16(+) "spin-gap" isomer. Shell-model calculations, using the Gross-Frenkel interaction and the πν(p(1/2),g(9/2)) model space, show that the isoscalar component of the neutron-proton interaction is essential to explain the origin of the isomer. Core excitations across the N=Z=50 gaps and the Gamow-Teller strength, B(GT) distributions have been studied via large-scale shell-model calculations using the πν(g,d,s) model space to compare with the experimental B(GT) value obtained from the half-life of the isomer.     

Theoretical study on diffusion mechanism of fluorine atom adsorbed on Si(111) reconstructed surface

We study diffusion mechanisms of fluorine atom adsorbed on Si(111) reconstructed surface by means of the first-principles density functional calculation. Recently, it was revealed experimentally that the fluorine diffusion is assisted by extra silicon atoms diffusing freely on the surface, whereas the detailed mechanism of the Si assist has not been understood. We first investigate F atom adsorption structures with and without a Si atom and find that extra Si atoms do not affect them. Next, we investigate the diffusion mechanism, considering four models in which extra silicon atoms act a different role, and find that SiF-complex diffusion model with activation energy of 1.34 eV is appropriate to explain the experiment. In this model, the Si–F bond is kept during diffusion, while in the others, it repeats breaking and re-bonding. This diffusion mechanism is also understood as the Si diffusion with carrying an F atom. We analyze why this diffusion mechanism is preferable to the others and find that two important features play roles. One is the strong Si-F bond that favors to keep the complex form, and the other is the existence of an extra silicon atom, which takes over the adatom position to passivate dangling bonds left behind after the SiF-complex removal.     

Asymptotic behavior of spreading fronts in the anisotropic Allen–Cahn equation on Rn

We consider the Cauchy problem for the anisotropic (unbalanced) Allen–Cahn equation on ${\mathbb{R}}^n$ with $n\ge 2$ and study the large time behavior of the solutions with spreading fronts. We show, under very mild assumptions on the initial data, that the solution develops a well-formed front whose position is closely approximated by the expanding Wulff shape for all large times. Such behavior can naturally be expected on a formal level and there are also some rigorous studies in the literature on related problems, but we will establish approximation results that are more refined than what has been known before. More precisely, the Hausdorff distance between the level set of the solution and the expanding Wulff shape remains uniformly bounded for all large times. Furthermore, each level set becomes a smooth hypersurface in finite time no matter how irregular the initial configuration may be, and the motion of this hypersurface is approximately subject to the anisotropic mean curvature flow $V_{\gamma }={\kappa }_{\gamma }+c$ with a small error margin. We also prove the eventual rigidity of the solution profile at the front, meaning that it converges locally to the traveling wave profile everywhere near the front as time goes to infinity. In proving this last result as well as the smoothness of the level surfaces, an anisotropic extension of the Liouville type theorem of Berestycki and Hamel (2007) for entire solutions of the Allen–Cahn equation plays a key role.     

Comments about the stark effect on the energy levels of f9-electrons in cubic crystal fields

Effects of free ion wave functions and J-admixture, on the Stark split energy levels of f⁹ electron systems in cubic environments are studied. This is done by working out the example of Dy³⁺ ion in the CaF₂ matrix. It is shown that while the effect of free ion wave functions is rather small, the J-admixture has a larger effect on the Stark split levels.     

Synthesis of Isoxazole Conjugates of 1,4-Benzodioxane Moiety via Intermolecular 1,3-Dipolar Cycloaddition

1,3-Dipolar cycloaddition was utilized as a tool to conjugate the 1,4-benzodioxane moiety with several biologically active compounds such as steroid, sugar, and other aromatic scaffolds via isoxazole or triazole bridge. The propynyl ether of 2-hydroxymethyl-1,4-benzodioxane underwent 1,3-dipolar cycloadditions smoothly with different in situ generated nitrile oxides in good yields. The triazole conjugate of 1,4-benzodioxane was synthesized via click chemistry.     

Toward long-distance mechanical communication: studies on a ternary complex interconnected by a bridging rotary module

A heterotropic ternary complex was obtained from a photochromic dithienylethene derivative bearing pyridyl groups (1), a chiral tetrasubstituted ferrocene as a scissoring component bearing two pyridyl and free-base porphyrin groups (3*), and a biaryl derivative as an intermediately bridging component bearing four zinc porphyrin handles (2). The three components are connected together via bidentate coordination bonds and mechanically interconnected. Exposure of the ternary complex to UV or visible light allowed for the isomerization of 1. This configurational change gave rise to an angular motion of 2, resulting in a scissoring motion of 3*. In the absence of 2, the isomerization of 1 does not lead to any defined motions of 3*. Thus, the heterotropic ternary complex may be regarded as a prototype of "molecular reacher" for remote manipulation of molecular events.     

Numerical simulation of non-Abelian particle-field dynamics

Numerical 1D-3V solutions of the Wong-Yang-Mills equations with anisotropic particle momentum distributions are presented. They confirm the existence of plasma instabilities for weak initial fields and of their saturation at a level where the particle motion is affected, similar to Abelian plasmas. The isotropization of the particle momenta by strong random fields is shown explicitly, as well as their nearly exponential distribution up to a typical hard scale, which arises from scattering off field fluctuations. By variation of the lattice spacing we show that the effects described here are independent of the UV field modes near the end of the Brioullin zone.     

Synthesis and characterization of push–pull organic semiconductors with various acceptors for solution-processed small molecule organic solar cells

New efficient push–pull organic semiconductors comprising of the bis(9,9-dimethyl-9H-fluoren-2-yl)aniline (bisDMFA) donor and the various acceptors such as NO₂, DCBP, and TCF, which were linked with bithiophene or vinyl bithiophene π-conjugation bridges, were synthesized, and their photovoltaic characteristics were investigated in solution-processed small molecule organic solar cells (SMOSCs). The intramolecular charge transfers of these materials were effectively appeared in between bisDMFA donor and acceptors, depending on the electron-withdrawing strength of acceptors. The organic semiconductors having NO₂ and DCBP acceptors exhibited the most efficient photovoltaic performance, showing power conversion efficiency (PCE) of 1.98% (±0.17) and 2.01% (±0.21), respectively. When the TiO_x thin layer was treated on photoactive layer, the organic semiconductor having NO₂ showed the best PCE of 2.70% with short circuit current of 8.19 mA/cm², fill factor of 0.40, and open circuit voltage of 0.83 V in SMOSC devices.     

The effects of silica fillers on the gelation and vitrification of highly filled epoxy‐amine thermosets

Highly filled thermosets are used in applications such as integrated circuit (IC) packaging. However, a detailed understanding of the effects of the fillers on the macroscopic cure properties is limited by the complex cure of such systems. This work systematically quantifies the effects of filler content on the kinetics, gelation and vitrification of a model silica‐filled epoxy/amine system in order to begin to understand the role of the filler in IC packaging cure. At high cure temperatures (100°C and above) there appears to be no effect of fillers on cure kinetics and gelation and vitrification times. However, a decrease in the gelation and vitrification times and increase the reaction rate is seen with increasing filler content at low cure temperatures (60‐90°C). An explanation for these results is given in terms of catalysation of the epoxy amine reaction by hydrogen donor species present on the silica surface and interfacial effects.