Mesoscopic Simulation of Aggregate Behaviour of Polymers in β-HMX-based PBXs

The mesoscopic structures of β-HMX （octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine）- based PBXs （polymer bonded explosives） at room temperature were investigated using dissipative particle dynamics method. The parameters and repulsive parameters of dif- ferent polymers and β-HMX, the mesoscopic structures of β-HMX-based polymer-bonded explosives at different temperatures have been studied. The results showed that the compat-ibility between β-HMX and vinylidenedifluoride （VDF）,β-HMX and chlorotrifluoroethylene （CTFE）, VDF and CTFE increased with increasing temperature. The temperature and mo-lar ratio of the polymers played an important role in wrapped process. And there exists the optimum temperature and molar ratio.

北京谱仪Ⅲ实验上的达利兹衰变研究（英文）

电磁达利兹衰变过程对介子结构非常敏感,可以提供了解介子结构的丰富信息,在约束(g-2)μ的不确定度方面也发挥着重要作用.近期,北京谱仪Ⅲ研究和发表了对几个重要达利兹衰变的测量结果,包η'→γe^+e^-,J/ψ→Pe^+e^-(P=η',η/π0),η'→ωe^+e^-等.对这些过程的研究都是世界上的首次发现和测量,深化了我们对于介子结构和介子相互作用的理解.更多的相关工作仍在进行之中,预期它们将会进一步促进测量和理论的比较,也会对超出标准模型的新物理有一定的敏感度.

Hydrothermal Synthesis and Properties of Y-zeolite-containing Composite Material with Micro/mesoporous Structure

A Y-zeolite-containing composite material with micro/mesoporous structure had been synthesized from kaolin by means of the in-situ crystallization method. The obtained samples were investigated by XRD and BET methods. Evaluation of catalytic activity of both the commercial Y-zeolite and the novel Y-zeolite-containing composite material was carried out in the pulse micro-chromatography platform with two probe molecules of different molecular sizes： VGO feedstock and 1,3,5 tri-isopropyl benzene. It was found that the Y-zeolite-containing composite material was richer in external surface and meso-/macro-pores; the Y-zeolite-containing composite material demonstrated a smaller rate of deactivation compared to the commercial Y-zeolite.

First-principles study on electronic structure, magnetic and dielectric properties of Cr-doped Fe_3C

The first-principles calculations were performed to investigate the electronic structure, magnetic and dielectric properties of Cr-doped Fe_3C, in comparison to those of pure Fe_3C and Cr_3C. The obtained results show that the thermodynamic stability of Crdoped Fe_3C becomes weaker in terms of the larger formation enthalpy, on the contrary, the metallicity and covalency are found to strengthen to some extent. The magnetic moments of Fe_3C, Fe_(11)CrC_4(g), and Fe_(11)CrC_4(s) are respectively 21.36 μB/cell, 16.92 μB/cell, and 17.62 μB/cell, and in Fe_(11)CrC4(g) and Fe_(11)CrC_4(s), the Fe of Wyckoff positions of 8d and 4c is substituted by Cr. The local magnetic moment of Cr at 8d site is larger than that at 4c site in the doped structure, which is opposite to that of Fe. In low frequency band, the permittivity follows the ranking of Fe_(11)Cr C_4(s)>Cr_3C>Fe_(11)Cr C_4(g)>Fe_3C. Once exceeding a certain frequency, the sequence will be broken. Besides the electron transition, the polarization of atoms also makes a contribution to the dielectric properties.

Structure and stability of Li-Mn-Ni composite oxides as lithium ion sieve precursors in acidic medium

A series of spinel Li-Mn-Ni composite oxides with theoretical chemical formula of LiNixMn2-xO4 （0〈_x〈_1.0） were synthesized by liquid phase method. Their structure and morphology were characterized by X-ray diffractometry （XRD） and scanning electron microscopy （SEM）, respectively. The stability of these Ni-substituted spinel oxides prepared at different temperatures was investigated in acidic medium as well. The results show that Ni can be brought into the spinel framework completely to form well-crystallized product when x〈_0.5 and the optimized synthesis temperature is 800℃. LiNi0.4Mn1.6O4 prepared at 800℃ can maintain the spinel structure and morphology with Li extraction ratio of 30.37%, Mn extraction ratio of 8.78% and Ni extraction ratio of 1,82% during acid treatment. The incorporated Ni not only inhibits the dissolution of Mn, but also reduces the extraction of Li due to the lattice contraction

Synthesis of magnetic core–shell structure Fe_3O_4@MCM-41 nanoparticle by vesicles in aqueous solutions

In this study, magnetic core–shell structure Fe3O4@MCM-41 nanoparticles were synthesized with vesicles as soft templates. In the preparation, Fe Cl2 and tetraethy orthosilicate(TEOS) were selected as Fe processor and Si precursor, respectively. Stable vesicles first formed in 0.03 mol·L-11:2 mixture of anionic surfactant sodium dodecyl sulfate and cationic surfactant cetyltrimethyl ammonium bromide. Then, TEOS was added in the vesicle aqueous solution, leading to a highly dispersed solution. After high-temperature calcination, Fe3O4@MCM-41 nanoparticles were obtained. Their structure and morphology were characterized by Saturn Digisizer, transmission electron microscope and vibrating sample magneto-meter. The results indicate that the vesicles are spherical and their size could be tuned between 20 and 50 nm. The average grain diameter of synthesize magnetic core–shell Fe3O4@MCM-41 particles is 100–150 nm and most of them are in elliptical shape. The dispersion of magnetic particles is very good and magnetization values are up to 33.44 emu·g-1, which are superior to that of other Fe3O4 materials reported.

Photonic band structure of one-dimensional metal/dielectric structures calculated by the plane-wave expansion method

The plane-wave expansion(PWE) method is employed to calculate the photonic band structures of metal/dielectric(M/D) periodic systems. We consider a one-dimensional(1D) M/D superlattice with a metal layer characterized by a frequency-dependent dielectric function. To calculate the photonic band of such a system, we propose a new method and thus avoid solving the nonlinear eigenvalue equations. We obtained the frequency dispersions and the energy distributions of eigen-modes of 1D superlattices. This general method is applicable to calculate the photonic band of a broad class of physical systems, e.g. 2D and 3D M/D photonic crystals. For comparison, we present a simple introduction of the finite-difference(FD) method to calculate the same system, and the agreement turns out to be good. But the FD method cannot be applied to the TM modes of the M/D superlattice.