Synthesis and characterization of a fatty acid self-assembled monolayer on CeO2 nanoparticles: to explore solution-state property of a SAM

Decanoic acid self-assembled monolayer (SAM) in the quasi-crystalline state was prepared on the surface of the cubic CeO₂ nanoparticles (6.5 ± 1.1 nm) by hydrothermal synthesis. The purification method to obtain quasi-crystalline SAM without residual (free) decanoic acid was developed. The SAM was carefully washed (purified) and characterized carefully by FT-IR, TG, DSC, and NMR. The obtained results showed that good agreement with the property of the dry state SAM. The solution state properties of the SAM were also examined by the CeO₂ nanoparticles. It turned out that the quasi-crystalline SAM could be swollen by its good solvents, cyclohexane, and chloroform; however, the quasi-crystalline SAM showed that a size exclusion effect to the solvent, trans-decalin. In addition, it turned out that the molecular motion of the decanoic acids in the SAM was highly restricted even in the swollen state depending on the distance from the grafting point to the CeO₂ surface. The strong osmosis was also observed. The solvent molecules were not easily released from the SAM even after the solvent molecules outside of the SAM were frozen.     

Evolution of the electronic structure of 1T-Cu(x)TiSe(2)

The electronic structure of a new charge-density-wave system or superconductor, 1T-Cu(x)TiSe(2), has been studied by photoemission spectroscopy. A correlated semiconductor band structure is revealed for the undoped case, which resolves a long-standing controversy in the system. With Cu doping, the charge-density wave is suppressed by the raising of the chemical potential, while the superconductivity is enhanced by the enhancement of the density of states, and possibly suppressed at higher doping by the strong scattering.     

Doped Mott insulator as the origin of heavy-fermion behavior in LiV2O4

We investigate the electronic structure of LiV2O4, for which heavy-fermion behavior has been observed in various experiments, by the combination of the local density approximation and dynamical mean field theory. To obtain results at zero temperature, we employ the projective quantum Monte Carlo method as an impurity solver. Our results show that the strongly correlated a 1g band is a lightly doped Mott insulator which, at low temperatures, shows a sharp (heavy) quasiparticle peak just above the Fermi level, which is consistent with recent photoemission experiments by Shimoyamada et al. [Phys. Rev. Lett. 96, 026403 (2006)10.1103/PhysRevLett.96.026403].     

An interpretation of COVID-19 in Tokyo using a combination of SIR models

A year and a half has passed since the outbreak of the COVID-19 pandemic. Mathematical models to predict infection are expected and many studies have been conducted. In this study, a new interpretation was created that could reproduce the daily positive cases in Tokyo using only a simple SIR model. In addition, the data on the ratio of transfer to delta variants could also be simulated. It is anticipated that this interpretation will be a basis for the development of forecasting methods.     

Shell structure and orbit bifurcations in finite fermion systems

We first give an overview of the shell-correction method which was developed by V.M. Strutinsky as a practicable and efficient approximation to the general self-consistent theory of finite fermion systems suggested by A.B. Migdal and collaborators. Then we present in more detail a semiclassical theory of shell effects, also developed by Strutinsky following original ideas of M.C. Gutzwiller. We emphasize, in particular, the influence of orbit bifurcations on shell structure. We first give a short overview of semiclassical trace formulae, which connect the shell oscillations of a quantum system with a sum over periodic orbits of the corresponding classical system, in what is usually called the “periodic orbit theory”. We then present a case study in which the gross features of a typical double-humped nuclear fission barrier, including the effects of mass asymmetry, can be obtained in terms of the shortest periodic orbits of a cavity model with realistic deformations relevant for nuclear fission. Next we investigate shell structures in a spheroidal cavity model which is integrable and allows for far-going analytical computation. We show, in particular, how period-doubling bifurcations are closely connected to the existence of the so-called “superdeformed” energy minimum which corresponds to the fission isomer of actinide nuclei. Finally, we present a general class of radial power-law potentials which approximate well the shape of a Woods-Saxon potential in the bound region, give analytical trace formulae for it and discuss various limits (including the harmonic oscillator and the spherical box potentials).     

Cyclization of 1,6-enynes with allylic chromate species

[reaction: see text] Treatment of 1,6-enynes with tetramethallylchromate induces a cyclization reaction with concurrent introduction of a methallyl group. A catalytic amount of CrCl(3) combined with methallylmagnesium chloride also achieves this cyclization process. The resultant cyclic organometallic species undergo further functionalization upon reaction with electrophiles.     

Multiple reflections of Lamb waves at a delamination

Wave propagation in laminated plates with delaminations was calculated using the semi-analytical finite element method. The visualization results and deeper numerical analyses revealed the following phenomena on the fundamental Lamb modes at delamination regions of laminated plates. First, Lamb wave propagates toward the delamination, and then splits into two independent waves at the "Entrance" of the delamination with no significant reflections. These two waves reach the "Exit" of the delamination with the different phases and arrival time. Thus reflected and transmitted waves are excited at the Exit. The repetition of such reflections at the Exit causes the multiple reflections at regular intervals corresponding to the delamination size.     

Noise waveforms with repetitive phase and nonrepetitive amplitude

By use of frequency-shifted feedback lasers, noise with a stationary amplitude and a periodically stationary phase is generated. The ensemble-averaged time correlation function is periodic, whereas the power spectrum is broadband, resulting in a waveform that does not obey the Wiener-Khintchine relations. An application to multiple-access communications is discussed.     

Effects of triphenylsulfonium hexafluorophosphate in the radiation-induced cationic polymerization of styrene

Radiation-induced cationic polymerization of styrene was studied in methylene chloride in the presence of triphenylsulfonium hexafluorophosphate. Acceleration in polymerization and an increase in molecular weight at a low temperature (?78°C) were observed in the presence of triphenylsulfonium salt. A study of pulse radiolysis revealed that both effects are due mainly to PF^?6, which forms ion pairs with the cationic species involved in the polymerization.