破片撞击装药点火实验和数值模拟

实验中采用升 降法得到了破片撞击装药点火的临界速度范围,数值模拟中采用节点约束 分离方法、热弹塑性材料本构方程和化学动力学方程描述了炸药的破坏行为和点火反应。实验结果与数值模拟结果吻合较好。研究结果表明,采用节点约束 分离方法、热弹塑性材料本构方程和化学动力学方程可以有效地描述装药在破片撞击作用下的破坏行为和点火反应。     

Interesting Magnetic and Optical Properties of ZnO Co-doped with Transition Metal and Carbon

Magnetic and optical properties of ZnO co-doped with transition metal and carbon have been investigated using density functional theory based on first-principles ultrasoft pseudopoten-tial method. Upon co-doping with transition metal (TM) and carbon, the calculated results show a shift in the Fermi level and a remarkable change in the covalency of ZnO. Such cases energetically favor ferromagnetic semiconductor with high Curie temperature due to p-d exchange interaction between TM ions and holes induced by C doping. The total en-ergy difference between the ferromagnetic and the antiferromagnetic configurations, spatial charge and spin density, which determine the magnetic ordering, were calculated in co-doped systems for further analysis of magnetic properties. It was also discovered that optical prop-erties in the higher energy region remain relatively unchanged while those at the low energyregion are changed after the co-doping. These changes of optical properties are qualitatively explained based on the calculated electronic structure. The validity of our calculation in comparison with other theoretical predictions will further motivate the experimental inves-tigation of (TM, C) co-doped ZnO diluted magnetic semiconductors.     

Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations

By molecular dynamics simulations employing an embedded atom method potential,we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001],[011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction,and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings,and the appearance of the hcp phase is due to the partial dislocation moving forward on {111} fcc family. For [011] loading,the hcp phase grows to form laminar morphology in four planes,which belong to the {111} fcc family; while for [111] loading,the hcp phase grows into a laminar structure in three planes,which belong to the {111} fcc family except for the (111) plane. In addition,the phase transition is evaluated by using the radial distribution functions.     

On characteristics of sheath damping near a dielectric wall with secondary electron emission

A preliminary investigation is conducted to study the characteristics of sheath damping near a dielectric wall with secondary electron emission (SEE). Making use of the linear analysis of the sheath stability, we have found two major contributions to the sheath damping, one similar to the Landau damping in uniform plasmas and another determined by local electric field and electron density of the steady-state sheath. It indicates that in a classical sheath regime the damping in the sheath region monotonically increases towards the wall and decreases with the enhancement of SEE effect. In order to verify the theoretical analysis, sheath oscillation processes induced by an initial disturbance are simulated with a time-dependent one-dimensional (1D) sheath model. Numerical results obtained are consistent with the theoretical analysis qualitatively.     

Effects of the strain relaxation of an AlGaN barrier layer induced by various cap layers on the transport properties in AlGaN/GaN heterostructures

The strain relaxation of an AlGaN barrier layer may be influenced by a thin cap layer above, and affects the transport properties of AlGaN/GaN heterostructures. Compared with the slight strain relaxation found in AlGaN barrier layer without cap layer, it is found that a thin cap layer can induce considerable changes of strain state in the AlGaN barrier layer. The degree of relaxation of the AlGaN layer significantly influences the transport properties of the two-dimensional electron gas (2DEG) in AlGaN/GaN heterostructures. It is observed that electron mobility decreases with the increasing degree of relaxation of the AlGaN barrier, which is believed to be the main cause of the deterioration of crystalline quality and morphology on the AlGaN/GaN interface. On the other hand, both GaN and AlN cap layers lead to a decrease in 2DEG density. The reduction of 2DEG caused by the GaN cap layer may be attributed to the additional negative polarization charges formed at the interface between GaN and AlGaN, while the reduction of the piezoelectric effect in the AlGaN layer results in the decrease of 2DEG density in the case of AlN cap layer.     

水体中壬基酚光降解机理研究

在模拟太阳光条件下, 通过测定光解过程中壬基酚(NP)残留率和中间产物, 考察了溶解氧(DO), H₂O₂, NO₃^-及Cl^-对水体中NP光解的影响, 并推测了降解途径. 结果表明: DO浓度越低NP降解越慢, 产物有4-壬基-邻苯二酚、壬醇、壬醛和壬酸, 其中以壬酸为主, 推测NP在 O₂^·-作用下, 生成邻酚, 再发生共轭加成. H₂O₂, NO₃^-的添加显著加快NP降解速率, 产物有碳链缩短(2～8碳)的酚、4-壬基-邻苯二酚、壬醇、壬醛、壬酸, 其中以壬醛为主, H₂O₂, NO₃^-在光照下生成·OH, ·OH进攻NP电子云较集中的位置, NO₃^-吸收光同时产生·NO₂, 检测到2-硝基-4-壬基酚. 在H₂O₂存在下, Cl^-的添加对NP降解先促进后抑制, 并检测到壬酰氯, 推测·OH与Cl^-共存, 形成Cl₂^-参与反应, 氯代产物的前驱体可能是壬醛.     

High volumetric hydrogen density phases of magnesium borohydride at high-pressure: A first-principles study

The previously proposed theoretical and experimental structures,bond characterization,and compressibility of Mg(BH 4) 2 in a pressure range from 0 to 10 GPa are studied by ab initio density-functional calculations.It is found that the ambient pressure phases of meta-stable I4 1 /amd and unstable P-3m1 proposed recently are extra stable and cannot decompose under high pressure.Enthalpy calculation indicates that the ground state of F 222 structure proposed by Zhou et al.[2009 Phys.Rev.B 79 212102] will transfer to I4 1 /amd at 0.7 GPa,and then to a P-3m1 structure at 6.3 GPa.The experimental P 6 1 22 structure(α-phase) transfers to I4 1 /amd at 1.2 GPa.Furthermore,both I4 1 /amd and P-3m1 can exist as high volumetric hydrogen density phases at low pressure.Their theoretical volumetric hydrogen densities reach 146.351 g H 2 /L and 134.028 g H 2 /L at ambient pressure,respectively.The calculated phonon dispersion curve shows that the I4 1 /amd phase is dynamically stable in a pressure range from 0 to 4 GPa and the P-3m1 phase is stable at pressures higher than 1 GPa.So the I4 1 /amd phase may be synthesized under high pressure and retained to ambient pressure.Energy band structures show that they are both always ionic crystalline and insulating with a band-gap of about 5 eV in this pressure range.In addition,they each have an anisotropic compressibility.The c axis of these structures is easy to compress.Especially,the c axis and volume of P-3m1 phase are extraordinarily compressible,showing that compression along the c axis can increase the volumetric hydrogen content for both I4 1 /amd and P-3m1 structures.     

Identification of m=2 competent mode of complex magneto-hydro-dynamics activities during internal soft disruption based on singular value decomposition and tomography of soft-X-ray emission on the HT-7 tokamak

In this paper,the singular value decomposition(SVD) method as a filter is applied before the tomographic inversion of soft-X-ray emission.Series of ’filtered’ signals including specific chronos and topos are obtained.(Here,chronos and topos are the decomposed spatial vectors and the decomposed temporal vectors,respectively).Given specific magnetic flux function with coupling m = 1 and m = 2 modes,the line-integrated soft-X-ray signals at all chords have been obtained.Then m = 1 and m = 2 modes have been identified by tomography of simulated ’filtered’ signals extracted by the SVD method.Finaly,using the experimental line-integrated soft-X-ray signals,m = 2 competent mode of complex magnetohydrodynamics(MHD) activities during internal soft disruption is observed.This result demonstrates that m = 2 mode plays an important role in internal disruption(Here,m is the poloidal mode number).     

Radiation characteristics and implosion dynamics of tungsten wire array Z-pinches on the YANG accelerator

We investigated the radiation characteristics and implosion dynamics of low-wire-number cylindrical tungsten wire array Z-pinches on the YANG accelerator with a peak current 0.8-1.1 MA and a rising time ～ 90 ns.The arrays are made up of(8-32)×5 μm wires 6/10 mm in diameter and 15 mm in height.The highest X-ray power obtained in the experiments was about 0.37 TW with the total radiation energy ～ 13 kJ and the energy conversion efficiency ～ 9%(24×5 μm wires,6 mm in diameter).Most of the X-ray emissions from tungsten Z-pinch plasmas were distributed in the spectral band of 100-600 eV,peaked at 250 and 375 eV.The dominant wavelengths of the wire ablation and the magneto-Rayleigh-Taylor instability were found and analyzed through measuring the time-gated self-emission and laser interferometric images.Through analyzing the implosion trajectories obtained by an optical streak camera,the run-in velocities of the Z-pinch plasmas at the end of the implosion phase were determined to be about(1.3-2.1)×10 7 cm/s.     

The synthesis and exchange bias effect of monodisperse NiO nanocrystals

Monodisperse NiO nanocrystals with an average particle size of 3 ± 0.4 nm are successfully synthesized by the thermal decomposition of Ni-oleylamine complex in an organic solvent under a continuous O2 flux. The crystalline structure and the morphology of the product are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy. Magnetization and alternating-current (ac) susceptibility measurements indicate that the structure of the particles can be considered as consisting of an antiferromagnetically ordered core and a spin-glass-like surface shell. In addition, both the exchange bias field and the vertical magnetization shift can be observed in this system at 10 K after field cooling. This observed exchange bias effect is explained in terms of the exchange interaction between the antiferromagnetic core and the spin-glass-like shell.