Positive vibrational entropy of chemical ordering in FeV

Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to measure phonon spectra of FeV as a B2 ordered compound and as a bcc solid solution. The two data sets were combined to give an accurate phonon density of states, and the phonon partial densities of states for V and Fe atoms. Contrary to the behavior of ordering alloys studied to date, the phonons in the B2 ordered phase are softer than in the solid solution. Ordering increases the vibrational entropy by +0.22±0.03 kB/atom, which stabilizes the ordered phase to higher temperatures. First-principles calculations show that the number of electronic states at the Fermi level increases upon ordering, enhancing the screening between ions, and reducing the interatomic force constants. The effect of screening is larger at the V atomic sites than at the Fe atomic sites.     

Traveling wavefronts of a prey-predator diffusion system with stage-structure and harvesting

From a biological point of view, we consider a prey-predator-type free diffusion fishery model with stage-structure and harvesting. First, we study the stability of the nonnegative constant equilibria. In particular, the effect of harvesting on the stability of equilibria is discussed and supported with numerical simulation. Then, employing the upper and lower solution method, we show that when the wave speed is large enough there exists a traveling wavefront connecting the zero solution to the positive equilibrium of the system. Numerical simulation is also carried out to illustrate the main result.     

Heating a bowl of single-molecule-soup: structure and desorption energetics of water-encapsulated open-cage [60] fullerenoid anions in the gas-phase

The gas-phase unimolecular decay kinetics of an anionic, open-cage [60] fullerene derivative encapsulating one water molecule is studied by means of black-body IR radiation induced dissociation (BIRD) in the temperature programmable ion trap of a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer. The primary reaction channel observed is escape of the water molecule from the fullerenoid bowl. The rate constants for this water loss as a function of temperature are evaluated using the Arrhenius equation to yield an activation energy of 104 ± 4 kJ mol(-1). A complementary ion mobility spectrometry study contrasting the water-encapsulated and the empty fullerene cages finds identical collision cross sections to within experimental error-supporting the structural assignment of this gas-phase anion as an endohedral (i.e. encapsulated) species. Both experiments were compared with quantum-chemical computations which well-describe the transition state for water desorption and the concomitant binding and activation energies.     

Click functionalized poly(p-phenylene ethynylene)s as highly selective and sensitive fluorescence turn-on chemosensors for Zn2+ and Cd2+ ions

Side-chain functionalized poly(p-phenylene ethynylene)s (PPEs) carrying triazole linkers, amino donors/receptors, and solubilizing groups have been found to yield remarkably high efficiency of fluorescence turn-on sensing for Zn(2+) and Cd(2+) ions in THF, and for H(+) and Cd(2+) ions in water.     

High-efficiency palladium catalysts supported on ppy-modified C60 for formic acid oxidation

A facile preparation of polypyrrole-modified fullerene supported Pd nanoparticles catalyst is introduced; electrochemical measurements demonstrate that the obtained Pd/ppy-C(60) catalyst shows a good electrocatalytic activity and stability for the oxidation of formic acid.     

Resolvent convergence and spectral approximations of sequences of self-adjoint subspaces

This paper studies resolvent convergence and spectral approximations of sequences of self-adjoint subspaces (relations) in complex Hilbert spaces. Concepts of strong resolvent convergence, norm resolvent convergence, spectral inclusion, and spectral exactness are introduced. Fundamental properties of resolvents of subspaces are studied. By applying these properties, several equivalent and sufficient conditions for convergence of sequences of self-adjoint subspaces in the strong and norm resolvent senses are given. It is shown that a sequence of self-adjoint subspaces is spectrally inclusive under the strong resolvent convergence and spectrally exact under the norm resolvent convergence. A sufficient condition is given for spectral exactness of a sequence of self-adjoint subspaces in an open interval lacking essential spectral points. In addition, criteria are established for spectral inclusion and spectral exactness of a sequence of self-adjoint subspaces that are defined on proper closed subspaces.     

Preparation, characterization, and infrared emissivity property of optically active polyurethane/TiO2/SiO2 multilayered microspheres

Optically active polyurethane/titania/silica (LPU/TiO₂/SiO₂) multilayered core–shell composite microspheres were prepared by the combination of titania deposition on the surface of silica spheres and subsequent polymer grafting. LPU/TiO₂/SiO₂ was characterized by FT-IR, UV–vis spectroscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), SEM and TEM, and the infrared emissivity value (8–14 μm) was investigated in addition. The results indicated that titania and polyurethane had been successfully coated onto the surfaces of silica microspheres. LPU/TiO₂/SiO₂ exhibited clearly multilayered core–shell construction. The infrared emissivity values reduced along with the increase of covering layers thus proved that the interfacial interactions had direct influence on the infrared emissivity. Besides, LPU/TiO₂/SiO₂ multilayered microspheres based on the optically active polyurethane took advantages of the orderly secondary structure and strengthened interfacial synergistic actions. Consequently, it possessed the lowest infrared emissivity value.     

基于有限元的REBCO无绝缘线圈三维全模型及瞬态特性仿真

无绝缘(NI)线圈因具有高电流密度、高热稳定性和高失超恢复能力,是一种极具应用前景的高温超导线圈绕制技术.在本文中,我们通过在AC/DC模块中耦合了电路模块和热模块,建立了一个完整的三维(3D)有限元模型(FEM).新耦合的电路模块能够对NI线圈整体进行励磁,从而保证其环向和径向保真度.通过该模型,我们分析了NI线圈的以下两个关键问题:充放电过程中,环向和径向电磁传输行为;过载流情况下不同接触电阻大小以及不同金属绝缘材料对线圈热稳定性的影响.我们比较了有限元仿真结果与分析电路模型的结果,两者达成了很好的一致性.我们所构建的3D模型可以进一步应用于观察NI线圈内部的电场和磁场分布,同时更为准确地描述超导材料的非线性特性,从而为NI线圈的设计和保护提供更为合理的物理参数.     

Study on a novel vertical enhancement-mode Ga2O3 MOSFET with FINFET structure

A novel enhanced mode(E-mode)Ga₂O₃ metal-oxide-semiconductor field-effect transistor(MOSFET)with vertical FINFET structure is proposed and the characteristics of that device are numerically investigated.It is found that the concentration of the source region and the width coupled with the height of the channel mainly effect the on-state characteristics.The metal material of the gate,the oxide material,the oxide thickness,and the epitaxial layer concentration strongly affect the threshold voltage and the output currents.Enabling an E-mode MOSFET device requires a large work function gate metal and an oxide with large dielectric constant.When the output current density of the device increases,the source concentration,the thickness of the epitaxial layer,and the total width of the device need to be expanded.The threshold voltage decreases with the increase of the width of the channel area under the same gate voltage.It is indicated that a set of optimal parameters of a practical vertical enhancement-mode Ga₂O₃ MOSFET requires the epitaxial layer concentration,the channel height of the device,the thickness of the source region,and the oxide thickness of the device should be less than 5×10¹⁶ cm^-3,less than 1.5μm,between 0.1μm-0.3μm and less than 0.08μm,respectively.     

Luminescent properties of YVO4:Eu/SiO2 core–shell composite particles

We report an efficient process for preparing monodisperse SiO₂@Y_0.95Eu_0.05VO₄ core–shell phosphors using a simple citrate sol–gel method and without the use of surface-coupling silane agents or large stabilizers. X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and photoluminescence (PL) spectra were used to characterize the resulting SiO₂@Y_0.95Eu_0.05VO₄ core–shell phosphors. The XRD results demonstrate that the Y_0.95Eu_0.05VO₄ particles crystallization on the surface of SiO₂ annealing at 800 °C is perfectly and the crystallinity increases with raising the annealing temperature. The obtained core–shell phosphors have a near perfect spherical shape with narrow size distribution (average size ca. 500 nm and an average thickness of ~50 nm), are not agglomerated, and have a smooth surface. The thickness of the YVO₄:Eu³⁺ shells on the SiO₂ cores could be easily tailored by changing the mass ratio of shell to core (W = [YVO₄]/[SiO₂]) (~50 nm for W = 30%). The Eu³⁺ shows a strong PL luminescence (dominated by ⁵D₀ − ⁷F₂ red emission at 618 nm) under the excitation of 320 nm UV light. The PL intensity of Eu³⁺ increases with increasing the annealing temperature and the values of W.