Cluster-model study on the K-shell excited states of crystalline lithium under intense laser irradiation

Molecular-orbital calculations are performed to elucidate electronic structures and optical properties of lithium clusters in which several K-shell electrons are simultaneously excited to the valence levels. It is shown that relaxation of valence electrons around localized core holes influences the photoabsorption near-edge spectra significantly. The spectra in the excited state are modified from those in the ground state due to the presence of initial core holes. Potential energy surfaces are calculated for core-ionized Li₉ ^z+ clusters, which exhibit bound states for z≤3. The present cluster calculations would serve as prototypical models of laser-excited hollow atom solids with applications to X-ray optics.     

Very simple,carbuncle-free,boundary-layer-resolving,rotated-hybrid Riemann solvers

In this paper, we propose new Euler flux functions for use in a finite-volume Euler/Navier–Stokes code, which are very simple, carbuncle-free, yet have an excellent boundary-layer-resolving capability, by combining two different Riemann solvers into one based on a rotated Riemann solver approach. We show that very economical Euler flux functions can be devised by combining the Roe solver (a full-wave solver) and the Rusanov/HLL solver (a fewer-wave solver), based on a rotated Riemann solver approach: a fewer-wave solver automatically applied in the direction normal to shocks to suppress carbuncles and a full-wave solver applied, again automatically, across shear layers to avoid an excessive amount of dissipation. The resulting flux functions can be implemented in a very simple and economical manner, in the form of the Roe solver with modified wave speeds, so that converting an existing Roe flux code into the new fluxes is an extremely simple task. They require only 7–14% extra CPU time and no problem-dependent tuning parameters. These new rotated fluxes are not only robust for shock-capturing, but also accurate for resolving shear layers. This is demonstrated by an extensive series of numerical experiments with standard finite-volume Euler and Navier–Stokes codes, including various shock instability problems and also an unstructured grid case.     

Transient film profile of thin liquid film flow on a stretching surface

In this paper we have studied a non-planar thin liquid film flow on a planar stretching surface. The stretching surface is assumed to stretch impulsively from rest and the effect of inertia of the liquid is considered. Equations describing the laminar flow on the stretching surface are solved analytically. It is observed that faster stretching causes quicker thinning of the film on the stretching surface. Velocity distribution in the liquid film and the transient film profile as functions of time are obtained.     

Optimal conflict-avoiding codes of length <Emphasis Type="Italic">n</Emphasis> ≡ 0 (mod 16) and weight 3

A conflict-avoiding code of length n and weight k is defined as a set of binary vectors, called codewords, all of Hamming weight k such that the distance of arbitrary cyclic shifts of two distinct codewords in C is at least 2k−2. In this paper, we obtain direct constructions for optimal conflict-avoiding codes of length n = 16m and weight 3 for any m by utilizing Skolem type sequences. We also show that for the case n = 16m + 8 Skolem type sequences can give more concise constructions than the ones obtained earlier by Jimbo et al.      

Synthesis of isoquinoline derivatives using ROM-RCM of cyclobutene-yne

Isoquinoline derivatives were synthesized from cyclobutenylmethylamine derivatives having an alkyne moiety in a tether using a second-generation ruthenium carbene complex under ethylene gas in good yields.     

Spectroscopic and excited-state properties of tri-9-anthrylborane II: Electroabsorption and electrofluorescence spectra

Electroabsorption and electrofluorescence spectroscopies were conducted for tri-9-anthrylborane (TAB) doped in poly(methyl methacrylate) films (1.0 mol %) to reveal the spectroscopic and excited-state properties of the compound. TAB showed three distinct absorption bands: bands I [(19 - 25) x 10(3) cm(-1)], II [(25-31) x 10(3) cm(-1)], and III (>31 x 10(3) cm(-1)). The electroabsorption spectrum demonstrated that the electronic transitions in bands I and III accompanied electric dipole moment changes (Deltamu), while the change in the molecular polarizability contributed mainly to electroabsorption band II. Because of the similarities of the electroabsorption spectrum of band II with that of anthracene itself, band II was assigned to the electronic transition to the locally excited (LE) state of the anthryl group. On the other hand, bands I and III were best described by the electronic transitions to the excited charge-transfer (CT) states. The study demonstrated furthermore that the Deltamu value of TAB accompanied by the lowest-energy electronic transition was as large as 7.8 D, which agreed very well with that determined by the solvent dependences of the absorption and fluorescence maximum energies of TAB (approximately 8.0 D, ref 1): Deltamu = 7.8-8.0 D. The results proved explicitly that the excited state of TAB was localized primarily on the p orbital of the boron atom. Despite the dipole moment change (Deltamu = 7.8-8.0 D) for the lowest-energy electronic transition (band I), the electrofluorescence of TAB accompanied the change in the molecular polarizability. The spectroscopic and excited-state properties of TAB including the curious behavior of the electrofluorescence spectrum as mentioned above were discussed on the basis of theoretical considerations.     

X-ray studies on layer structure and bistability in ferroelectric liquid crystals

X-ray diffraction measurements of thin chiral smectic C (S_c*) liquid crystals between solid plates coated with rubbed polymer film were performed under an electric field. A variety of local layer structures which depend upon the boundary conditions could be observed, including bookshelf and chevron, and some distorted structures. Moreover, the method of layer deformation could be seen in a stepwise induced field, and seven deformation types could be detected. The relation between a bistability effect and the type of layer deformation was clarified and four deformation types were found favourable to bistability. A vertical layer structure at the boundary, like the bookshelf structure, was necessary to produce bistability. A high pretilt film seemed to have a smectic layer reform a tilted structure even under an induced field and it was difficult to produce bistability with the high pretilt one.     

Equilibrium characteristic at ordered-disordered phase boundary in centrifuged nonequilibrium colloidal-crystal system

We show that a crystalline-noncrystalline boundary that temporarily appeared in a sediment centrifuged from a relatively dilute colloidal suspension can be regarded to be at a phase equilibrium. On the basis of this, we can determine the critical particle concentration for colloidal crystallization using an extremely small amount of specimen by spatially resolved spectroscopy.