Angle-resolved photoemission spectroscopy study of Fe(1 1 0) single crystal: Many-body interactions between quasi-particles at the Fermi level

A high-resolution angle-resolved photoemission spectroscopy (ARPES) study of Fe(1 1 0) single crystal was conducted to elucidate many-body interactions between quasi-particles at the Fermi level at low-temperature. Two kink structures were observed in the energy-band dispersion at the binding energies of ∼40 meV and ∼270 meV for the bulk-derived band on the majority-spin Fermi surface around the Γ point. Based on analyses of the experimentally obtained real parts of the self-energy, these kink structures are derived from electron-phonon and electron-magnon interactions.     

Simulation of two‐phase flow–body interaction problems using direct forcing/fictitious domain–level set method

In the present paper, a direct forcing/fictitious domain (DF/FD)–level set method is proposed to simulate the twophase flow–body interaction. The DF/FD does not sacrifice accuracy and robustness by employing a discrete δ (Dirac delta) function to transfer quantities between the Eulerian nodes and Lagrangian points explicitly as the immersed boundary method. The advantages of this approach are the simple concept, the easy implementation and the utilization of original governing equation without modification. The main idea is to combine DF/FD method with the level set method in the Cartesian coordinates. We present the results of a number of test cases to illustrate the effectiveness of the proposed method for single‐phase flow–body interaction problem and the two‐phase flows with a stationary body. Eventually, the simulations of various water entry problems have been conducted to validate the capability and the accuracy of the present method on solving the twophase flow–body interaction. Consequently, the present results are found to be in good agreement with those of previous studies. Copyright © 2013 John Wiley & Sons, Ltd.     

Cation and anion substitution effects on the ultrafast dynamics of interionic interaction in imidazolium based ionic liquids

Room-temperature Ionic Liquids(ILs) have numerous unique properties that differ from those of conventional molecular solvents.Although the unique properties of ILs have been suggested to origin from their microscopic interionic interaction,detailed dynamics of interionic interaction of ILs has not been fully understood.Here,with the Femtosecond Optical Heterodyne-Detected Raman Induced Kerr Effect Spectroscopy(fs-OHD-RIKES),we measured the ultrafast dynamics of the interionic interaction of three typical im...     

Electrostatic interaction effect for human DNA separation with functionalized mesoporous silicas

This work describes the development of highly efficient human DNA separation with functionalized mesoporous silica (FMS) materials. To demonstrate the electrostatic interaction effect between the target DNA molecules and FMS, three aminofunctionality types comprised of a mono-, a di-, and a tri-amine functional group were introduced on the inner surfaces of mesoporous silica particles. Systematic characterization of the synthesized materials was achieved by solid-state ²⁹Si and ¹³C-NMR techniques, BET, FT-IR, and XPS. The DNA separation efficiency was explored via the function of the amino-group number, the amount used, and the added NaCl concentration. The DNA adsorption yields were high in terms of the use of triaminofunctionalized FMS at the 10 ng/L level, and the DNA desorption efficiency showed the optimum level at over 3.0 M NaCl concentration. The use of FMS in a DNA separation process provides numerous advantages over the conventional silica-based process.     

Synthesis of [60]fullerene-containing [2]rotaxanes using axle molecules bearing donor moiety

[2]Rotaxanes, consisting of a fullerene derivative bearing an electron-donating 1,5-dialkoxynaphthalene moiety and a macrocycle containing electron-deficient naphthalenetetracarboxylic diimide moieties, were first successfully synthesized and characterized.     

A direct‐forcing pressure‐based lattice Boltzmann method for solving fluid–particle interaction problems

A direct‐forcing immersed boundary‐lattice Boltzmann method (IB–LBM) is developed to simulate fluid–particle interaction problems. This method uses the pressure‐based LBM to solve the incompressible flow field and the immersed boundary method to handle the fluid–particle interactions. The pressure‐based LBM uses the pressure distribution functions instead of the density distribution functions as the independent dynamic variables. The main idea is to explicitly eliminate the compressible effect due to the density fluctuation. In the IB method, a direct‐forcing method is introduced to capture the particle motion. It directly computes an IB force density at each lattice grid from the differences between the pressure distribution functions obtained by the LBM and the equilibrium pressure distribution functions computed from the particle velocity. By applying this direct‐forcing method, the IB–LBM becomes a purely LBM version. Also, by applying the Gauss theorem, the formulas for computing the force and the torque acting on the particle from the flows are derived from the volume integrals over the particle volume instead of from the surface integrals over the particle surface. The order of accuracy of the IB–LBM is demonstrated on the errors of velocity field, wall stress, and gradients of velocity and pressure. As a demonstration of the efficiency and capabilities of the new method, sedimentation of a large number of spherical particles in an enclosure is simulated. Copyright © 2010 John Wiley & Sons, Ltd.     

Optical detection of Cu ion using a SQ-dye containing polymeric thin-film on Au surface

In this study, we have fabricated Cu²⁺ ion sensor using a squarylium dye (SQ-dye) containing polymeric thin-film. Surface Plasmon Resonance (SPR) was used as a signal amplifier to achieve high sensitivity and large linear dynamic range for detection of Cu²⁺ ion. High selectivity to Cu²⁺ ion was obtained by the effective electro-static interaction between SQ-dye and Cu²⁺ ion in the polymeric film. The optimal analytical condition of high selectivity and sensitivity in the wider linear dynamic range obtained in this study may be a result of the cooperative ‘hard-soft’ metal ion-ligand interaction and effective detection of refractive index changes by the complexation of Cu²⁺ ion and SQ-dye in SPR measurement. Among 10 different alkali metal, alkaline earth metal, and transition metal ions, SQ-dye in poly(vinylchloride)–poly(vinyl acetate)–poly(vinyl alcohol) (PVC–PVAc–PVA) copolymer film showed the highest selectivity to Cu²⁺ ion. Although the interaction between SQ-dye and metal ions has not been well understood, both cooperative ‘hard-soft’ metal ion-ligand interaction and size-selective recognition of Cu²⁺ ion to SQ-dye may contribute to high selectivity. Furthermore, additional sensitivity in the detection of Cu²⁺ ion by SPR was obtained by matching the wavelength of probing radiation of SPR and absorption maximum of SQ-dye at 675 nm, which allow to detect small changes in the refractive index by complex formation on the sensing surface. This result may apply in development of the Cu²⁺ ion selective sensor for medical, biochemical, and environmental applications.     

The reversal of magnetization driven by the Dzyaloshinskii-Moriya interaction in Bi2FeMnO6

Ab initio calculations show that the coupling between antiferrodistortive (AFD) distortions and magnetization in perovskite Bi₂FeMnO₆ is prohibited to make magnetization rotate as effective Hubbard parameter is larger than 2.7 eV, where anomalies in antiferromagnetic (AFM) vectors and band gap varying with on-site Coulomb interaction can be observed. This coupling is attributed to the antisymmetric Dzyaloshinskii-Moriya interaction driven by the e_g-e_g states AFM interaction and charge redistribution with respect to different AFD distortions.     

The relativistic consistent angular-momentum projected shell model study of the <Emphasis Type="Italic">N</Emphasis>=<Emphasis Type="Italic">Z</Emphasis> nucleus <Superscript>52</Superscript>Fe

The relativistic consistent angular-momentum projected shell model(ReCAPS) is used in the study of the structure and electromagnetic transitions of the low-lying states in the N=Z nucleus 52Fe.The model calculations show a reasonably good agreement with the data.The backbending at 12+ is reproduced and the energy level structure suggests that neutron-proton interactions play important roles.     

Computational study of the fluorination effect on nitrogen–boron bond

The Lewis acid‐base H_3?nF_nN–BF_mH_3?m (n = 0–3; m = 0–3) system was examined using the density functional theory calculations. The N? B bond strength can be adjusted stepwise by increasing the number of substituted fluorine atoms. The main finding of this work is the bond distances of the complexes do not correlate directly with the bond strengths. Some rationalization of this interesting observation was provided by the fluorine substitution effect on the HOMO‐LUMO gap, hybridization of bonding orbitals and electrostatic interaction. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008