Ferroelectric phase transition and optical performance of PLZnNZT transparent ceramics

Lead-based Pb_0.97La_0.02(Zn_1/3Nb_2/3)_0.3(Zr_0.53Ti_0.47)_0.7O₃ (PLZnNZT) transparent ceramics with the addition of 2 wt% excess PbO were prepared by hot-pressing sintering method. The hot-pressing sintered PLZnNZT ceramics exhibit dense and large-grained microstructure, and perovskite structure with distorted cubic-like symmetry. The ceramics exhibit normal ferroelectric-like dielectric behavior with slightly diffused ferroelectric phase transition characteristic. The PLZnNZT ceramics exhibit fully developed, symmetric and saturated P–E hysteresis loop and large piezoelectric constant d₃₃, being 468 pC/N. The ceramics with 120 μm thickness exhibit maximum transmittance of 53% at 850 nm when Fresnel losses was not included, almost totally transparent in the mid IR region (2500–5600 nm), and low-lying optical band gap energy E_g of 3.23 eV. Three diffused Raman bands centering around 240 cm⁻¹, 560 cm⁻¹ and 750 cm⁻¹ are observed by micro-Raman spectroscopy, which can be attributed to F2g [BO₆] bending vibration, A1g [BO₆] stretching vibration and “soft mode” mixed by the bending and stretching vibrations, respectively, confirming the normal ferroelectric-like characteristic.     

空间关联白噪声影响下小世界神经元网络系统的同步动力学

以电耦合的Terman-Wang小世界神经元网络系统为研究对象, 研究了空间关联白噪声影响下神经元网络系统的同步动力学. 首先将动力学平均场近似理论扩展到受空间关联白噪声影响下的小世界网络系统中, 将描述网络系统动力学演化的2N维随机微分方程简化为11个确定性的矩微分方程. 其次, 基于动力学平均场近似理论所推导的矩方程, 讨论了空间关联噪声、网络结构参数对神经元网络系统同步动力学的关键影响, 发现较大的噪声空间关联系数、耦合强度及节点平均度均对神经元网络系统同步放电具有积极作用. 进一步地, 利用计算机仿真数值模拟原神经元网络系统的同步动力学, 并与基于动力学平均场近似理论所得到的结果进行比较, 发现二者具有较好的一致性.     

A local parallel superconvergence method for the incompressible flow by coarsening projection

In this article, we investigate a local parallel superconvergence method by coarsening projection for the incompressible Stokes flow. The method is a combination of the local superconvergence technique and the given framework of local parallel method. For the smooth subdomains, the local superconvergence method is applied in a higher order finite dimensional space corresponding to an appropriate coarse mesh on interior domain. Moreover, a useful and flexible local parallel method is designed to obtain the local parallel superconvergence results of presented method, which offset theoretical limitation of the model without the smoothness of the exact solution and a priori regularity of the underlying problem over the whole domain. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1209–1223, 2015     

Enhanced room temperature ferromagnetism and photoluminescence behavior of Cu-doped ZnO co-doped with Mn

Cu, Mn co-doped ZnO nanoparticles were successfully synthesized by the sol–gel technique. XRD pattern described that Mn-doping did not affect the hexagonal wurtzite structure of the samples and no secondary phases were found. The reduced crystallite size at Mn=2% is due to the suppression of grain surface growth by foreign impurity. The enhancement of crystal size after Mn=2% is due to the expansion of lattice volume produced by the distortion around the dopant ion. The better dielectric constant and conductivity noticed at Mn=2% are explained by charge carrier density and crystallite size. The suppression of broad UV band by Mn-doping is discussed based on the generation of non-radiative recombination centers. Hysteresis loop showed the clear room temperature ferromagnetism in all the samples and the magnetization increased with Mn-doping. Better electrical and magnetic behavior of Zn_0.94Cu_0.04Mn_0.02O sample is suggested for effective opto-magnetic devices.     

MHD squeezed flow of water functionalized metallic nanoparticles over a sensor surface

Present study is devoted to analyze the magnetohydrodynamics (MHD) squeezed flow of nanofluid over a sensor surface. Modeling of the problem is based on the geometry and the interaction of three different kinds of metallic nanoparticles namely: copper (Cu), alumina (Al₂O₃) and titanium dioxide (TiO₂) with the homogeneous mixture of base fluid (water). The self-similar numerical solutions are presented for the reduced form of the system of coupled ordinary differential equations. The effects of nanoparticles volume friction, permeable velocity and squeezing parameter for the flow and heat transfer within the boundary layer are presented through graphs. Comparison among the solvent are constructed for both skin friction and Nusselt number. Flow behavior of the working nanofluid according to the present geometry has analyzed through Stream lines. Conclusion is drawn on the basis of entire investigation and it is found that in squeezing flow phenomena Cu–water gives the better heat transfer performance as compare with the rest of mixtures.     

Influence of one CO molecule on structural and electronic properties of monatomic Cu chain

By using first-principles calculations, we have systematically investigated the structural and electronic properties of an infinite linear monatomic Cu chain with an adsorbed CO molecule. We find that the bridge geometry is energeticabsally favored not only when the Cu–Cu bond below the molecule is unstretched, but also for a wide range of d_Cu–Cu up to about 4.20 Å, while the substitutional geometry is favored only in the hyperstretched situation d_Cu–Cu>4.80 Å. Charge density differences point out the electron transfer is from the Cu atoms to the adsorbed CO molecule. The binding mechanism of CO to Cu chain can be described by the Blyholder’s model, in terms of σ-donation of electron density from the nonbonding CO-5σ orbital into empty metal orbitals and π-backdonation from the occupied metal d orbitals to empty CO-2π^⁎ orbital. The donation/backdonation process leads to the formation of bonding/antibonding pairs, 5σ_b/5σ_a and 2π_b^⁎/2π_a^⁎, with the 5σ_a lying above E_f and the 2π_b^⁎ below E_f.     

Insights into the Mechanism of Protein Electrospray Ionization From Salt Adduction Measurements

The mechanisms whereby protein ions are liberated from charged droplets during electrospray ionization (ESI) remain under investigation. Compact conformers electrosprayed from aqueous solution in positive ion mode likely follow the charged residue model (CRM), which envisions analyte release after solvent evaporation to dryness. The concentration of nonvolatile salts such as NaCl increases sharply within vanishing CRM droplets, promoting nonspecific pairing of Cl^- and Na⁺ with charged groups on the protein surface. For unfolded proteins, it has been proposed that ion formation occurs via the chain ejection model (CEM). During the CEM proteins are expelled from the droplet long before complete solvent evaporation has taken place. Here we examine whether salt adduction levels support the view that folded and unfolded proteins follow different ESI mechanisms. Solvent evaporation during the CEM is expected to be less extensive and, hence, the salt concentration at the point of protein release should be substantially lower than for the CRM. CEM ions should therefore exhibit lower adduction levels than CRM species. We explore the adduction behavior of several proteins that were chosen to allow comparative studies on folded and unfolded structures in the same solution. In-source activation eliminates chloride adducts via HCl release, generating protein ions that are heterogeneously charged because of sodiation and protonation. Sodiation levels measured under such conditions provide estimates of the salt adduction behavior experienced by the “nascent” analyte ions. Sodiation levels are significantly reduced for unfolded proteins, supporting the view that these species are indeed formed via the CEM.

Optical constants,dispersion energy parameters and dielectric properties of ultra-smooth nanocrystalline BiVO4 thin films prepared by rf-magnetron sputtering

BiVO₄ thin films have been prepared through radio frequency (rf) magnetron sputtering of a pre-fabricated BiVO₄ target on ITO coated glass (ITO-glass) substrate and bare glass substrates. BiVO₄ target material was prepared through solid-state reaction method by heating Bi₂O₃ and V₂O₅ mixture at 800 °C for 8 h. The films were characterized by X-ray diffraction, UV–Vis spectroscopy, LCR meter, field emission scanning electron microscopy, transmission electron microscopy and atomic force microscopy. BiVO₄ thin films deposited on the ITO-glass substrate are much smoother compared to the thin films prepared on bare glass substrate. The rms surface roughness calculated from the AFM images comes out to be 0.74 nm and 4.2 nm for the films deposited on the ITO-glass substrate and bare glass substrate for the deposition time 150 min respectively. Optical constants and energy dispersion parameters of these extra-smooth BiVO₄ thin films have been investigated in detail. Dielectric properties of the BiVO₄ thin films on ITO-glass substrate were also investigated. The frequency dependence of dielectric constant of the BiVO₄ thin films has been measured in the frequency range from 20 Hz to 2 MHz. It was found that the dielectric constant increased from 145 to 343 at 20 Hz as the film thickness increased from 90 nm to 145 nm (deposition time increased from 60 min to 150 min). It shows higher dielectric constant compared to the literature value of BiVO₄.     

不同结构Cu_2O多晶的合成及其对高氯酸铵热分解的催化作用

利用均相反应器,在没有添加剂的条件下合成了具有多孔结构的Cu2O微球.考察了合成时间以及反应器旋转速度对Cu2O微球结构的影响.通过增加聚乙烯吡咯烷酮(PVP)的用量,使得Cu2O从多孔微球转变为立方体孪晶,最终形成十四面体孪晶结构.同时,将不同结构的Cu2O多晶应用于催化高氯酸铵(AP)的热分解,结果表明:多孔Cu2O微球较其它结构的Cu2O对AP的热分解具有更高的催化活性,使得AP的低温分解温度降低了37.4°C,而AP在低温阶段的分解量也由8.7%增加至49.0%.