不同温度下二氧化硅纳米管的结构和振动性质的分子动力学模拟

采用三种势能模型, 利用分子动力学模拟研究了在300～1600 K内4、6和8元环的二氧化硅纳米管. 结果表明,三种纳米管的末端环的稳定性随温度的升高而降低. 通过振动态密度考察了二氧化硅纳米管的有效振动特性. 以及不同温度下二氧化硅纳米管的红外光谱.     

Dinuclear Zn(II) catalysts as biomimics of RNA and DNA phosphoryl transfer enzymes: changing the medium from water to alcohol provides enzyme‐like rate enhancements

Phosphodiesters are notoriously hydrolytically inert compounds that are demonstrated to have large accelerations of P‐OR cleavage promoted by transition and lanthanide metal ions in methanol and ethanol media. This review commentary describes recent findings of how a simple mononuclear and a dinuclear Zn(II) complex promote the cleavage of a series of RNA models and DNA models in alcohol media. The discussion centers on the analysis of the mechanisms of cleavage, energetics of the catalytic process, on recent findings of electrophilic assistance of leaving group departure, and the observation of a rapid hydrolytic reaction of a DNA model promoted by the dinuclear Zn(II) complex in ethanol containing less than 2% water. Copyright © 2009 John Wiley & Sons, Ltd.     

Asymptotic Properties of the Maximum Likelihood Estimate in Generalized Linear Models with Stochastic Regressors

For generalized linear models （GLM）, in case the regressors are stochastic and have different distributions, the asymptotic properties of the maximum likelihood estimate （MLE） β^n of the parameters are studied. Under reasonable conditions, we prove the weak, strong consistency and asymptotic normality of β^n     

Decay properties of D and D_s mesons in coulomb plus power potential （CPPν）

The decay properties of the D and D s mesons are computed in a nonrelativistic phenomenological quark-antiquark potential of the type V （r） =-4 /3 α s /r＋ Ar ν with different choices of ν.Numerical method to solve the Schrdinger equation has been used to obtain the spectroscopy of qQ mesons.The numerically obtained radial solutions are employed to obtain the decay constant and leptonic decay widths.It has been observed that predictions of the ground state masses and the decay widths are consistent with other model predictions as well as with the known experimental values.     

Synthesis and characterization of Ni-Zn ferrite nanoparticles

Nickel zinc ferrite nanoparticles Ni_xZn_1−xFe₂O₄ (x=0.1, 0.3, 0.5) have been synthesized by a chemical co-precipitation method. The samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, electron paramagnetic resonance, dc magnetization and ac susceptibility measurements. The X-ray diffraction patterns confirm the synthesis of single crystalline Ni_xZn_1−xFe₂O₄ nanoparticles. The lattice parameter decreases with increase in Ni content resulting in a reduction in lattice strain. Similarly crystallite size increases with the concentration of Ni. The magnetic measurements show the superparamagnetic nature of the samples for x=0.1 and 0.3 whereas for x=0.5 the material is ferromagnetic. The saturation magnetization is 23.95 emu/g and increases with increase in Ni content. The superparamagnetic nature of the samples is supported by the EPR and ac susceptibility measurement studies. The blocking temperature increases with Ni concentration. The increase in blocking temperature is explained by the redistribution of the cations on tetrahedral (A) and octahedral (B) sites.     

Effects of thermal annealing on structural and magnetic properties of thin Pt/Cr/Co multilayers

Thermal stability of thin Pt/Cr/Co multilayers and the subsequent changes in their structural, magnetic, and magneto-optical properties are reported. We observe CoCrPt ternary alloy phase formation due to annealing at temperatures about 773 K, which is accompanied by enhancement in the coercivity value. In addition, 360° domain wall superimposed on a monodomain like background has been observed in the pristine multilayer, which changes into a multidomain upon annealing at 873 K.     

Generalized algebraic transformations and exactly solvable classical-quantum models

The rigorous approach aimed at providing exact analytical results for hybrid classical-quantum models is elaborated on the grounds of generalized algebraic mapping transformations. This conceptually simple method allows one to obtain novel interesting exact results for the hybrid classical-quantum models, which may for instance describe interacting many-particle systems composed of the classical Ising spins and quantum Heisenberg spins, the localized Ising spins and delocalized electrons, or many other hybrid systems of a mixed classical-quantum nature.