Pb-Mg-Al合金腐蚀机理的电子理论研究

为了了解Pb-Mg-Al合金腐蚀的物理本质, 本文采用基于第一性原理的赝势平面波方法系统地计算了Pb-Mg-Al合金中各物相的结合能、费米能级和局域态密度等电子结构参数, 分析了合金的电化学腐蚀机理. 计算结果表明：Pb-Mg-Al合金中各主要组成物相稳定性大小关系为 Mg₁₇Al₁₂>Mg₂Pb>Mg;Mg,Mg₂Pb和Mg₁₇Al₁₂的费米能级存在E_f(Mg)>E_f(Mg₂Pb)>E_f(Mg₁₇Al₁₂)的关系, 说明Mg最容易失去电子, Mg₂Pb次之, Mg₁₇Al₁₂最难;局域态密度表明, 在同样的外界条件下, 体系中Mg相和Mg₂Pb相对于Mg₁₇Al₁₂均处于不稳定的状态, 容易失去电子, 即容易发生腐蚀. Pb-Mg-Al合金体系中不同物相的费米能级差构成了电化学腐蚀的电动势, 导致电子从费米能级高的Mg相和Mg₂Pb相流向费米能级低的Mg₁₇Al₁₂相, 使Pb-Mg-Al合金发生腐蚀.     

故障注入技术在机载计算机模拟量采集中的应用

近年来航空武器的功能性能快速提高,机载计算机处理能力也越来越强。接口模块作为处理多种接口信号的重要部件,在机载计算机中起着至关重要的作用。文中结合故障注入技术,在以往常用模拟量采集电路基础上,设计了模拟量激励产生电路,实现模拟量采集电路的故障注入,结合测试软件完成模拟量采集电路的检测,达到提高机载计算机的测试性的目标。     

Discussion again of the magnetic and transport property of Ag-doped LaMnO3

Samples La_1−aAg_aMnO₃ (0.05?a?0.50) were sol–gel fabricated. A part of Ag was found to dissociate and run off the samples in sintering process when sintering temperature exceeds 700 °C, resulting in a composite of La_1−xAg_xMnO₃ and MnO₂/Mn₂O₃. The magnetic and transport properties of the composite have been studied. The sample with the nominal composition La_0.7Ag_0.3MnO₃ was found to show the greatest magnetoresistance in the sample group. Detailed analysis on average Mn valence reveals a composite of (La_0.985Ag_0.015MnO₃)_0.776[(MnO₂)_0.590(Mn₂O₃)_0.410]_0.224. Its MR ratio at room temperature exceeds 24% under a field of 1.8 T. A conductivity leap has been observed around a=0.30. It suggests a kind of field-induced fluctuation in percolation in the samples investigated.     

飞机跑道胶痕的自动识别系统设计与实现

为了减轻机场跑道除胶工作人员的劳动强度,提高除胶工作效率,文章提出了一种基于机器视觉的胶痕自动查找和识别方法,设计了基于ARM单片机控制的图像无线采集和基于PC机控制的图像接收、图像预处理和图像识别系统。文章通过分析预处理后的数据特点,确定了基于细胞神经网络算法的胶痕识别算法,然后在MATLAB仿真环境下确定了该算法的最优模型和参数,最后在Visual C++ 6.0环境下完成了该算法的程序编译,调试并完成了对胶痕的自动识别过程。理论仿真和程序测试的结果证明了文章提出的方法在胶痕自动识别系统中的可行性,也为机场特种设备的无人化和智能化提供了参考。     

Correlation of fluctuation field and temperature coefficient of coercivity in a CoCrPtB thin film

The effect of the ratio of fluctuation field (H_f) to coercivity (H_c) on the temperature coefficient of coercivity [α(H_c)] was investigated for Co₅₅Cr_15.5Pt₂₈B_1.5/Co₆₃Cr₃₇/Cr, Co₆₉Cr₁₉Pt₉Ta₃/Cr, and Co₈₆Cr₁₀Ta₄/Cr thin films (longitudinal recording media) with very small average grain volume (V_phy). α(H_c) increases markedly with increase in temperature between near 250 and 350 K for Co₅₅Cr_15.5Pt₂₈B_1.5/Co₆₃Cr₃₇/Cr thin films. α(H_c) is approximately proportional to the ratio H_f/H_c for all thin films, as in the case of advanced data backup tapes prepared from ultrafine particles. α(H_c) and the ratio H_f/H_c increase as V_phy decreases. Smaller H_f/H_c values are necessary for small α(H_c) values, which is very important for the thermal stability of high-density recording media with very small V_phy.     

Manifestation of resonance dipole-dipole interaction in spectra of low-temperature molecular mixtures of C2F6 in CF4 and CF4 in C2F6

We have measured IR absorption spectra of solutions C₂F₆ in CF₄ (T = 178 K) and CF₄ in C₂F₆ (T = 173 K) in the overtone range of the spectrum. We have studied how the resonance dipole-dipole interaction affects the formation of contours of bands that correspond to transitions to states involving the vibrations ν₁₀(C₂F₆) and ν₃(CF₄), which are strong in the dipole absorption. For the system C₂F₆ in liquid CF₄, the state ν₂ + ν₁₀(C₂F₆) resonantly interacts with the state ν₂(C₂F₆) + ν₃(CF₄), and, for the system CF₄ in liquid C₂F₆, the state ν₁ + ν₃(CF₄) resonantly interacts with the state ν₁(CF₄) + ν₁₀(C₂F₆). The contours of the bands ν₂ + ν₁₀ (C₂F₆) in the spectrum of the mixture with CF₄ and of the bands ν₁ + ν₃(CF₄) in the spectrum of the mixture with C₂F₆ have been calculated.     

Ground state and properties of ferroelectric superlattices based on crystals of the perovskite family

The crystal structure of the ground state of ten free-standing ferroelectric superlattices based on crystals with the perovskite structure (BaTiO₃/SrTiO₃, PbTiO₃/SrTiO₃, PbTiO₃/PbZrO₃, SrZrO₃/SrTiO₃, PbZrO₃/BaZrO₃, BaTiO₃/BaZrO₃, PbTiO₃/BaTiO₃, BaTiO₃/CaTiO₃, KNbO₃/KTaO₃, and KNbO₃/NaNbO₃) was calculated from first principles within the density functional theory taking into account criteria for stability of the structures with respect to acoustic and optical distortions. It was shown that the ground state in all the considered superlattices corresponds to the ferroelectric phase. It was found that the polarization vector has a tendency toward a tilt to the plane of the superlattice layers, which makes it possible to decrease the electrostatic and elastic energy in the superlattices consisting of materials with different ferroelectric properties. The importance of the inclusion of structural distortions due to unstable phonons at the Brillouin zone boundary, which, in a number of cases, lead to significant changes in ferroelectric and dielectric properties of the superlattices, was demonstrated.     

Luminescence of Bismuth‐Activated Ceramics of Yttrium and Scandium Oxides

The luminescence spectra of Y₂O₃:Bi and Sc₂O₃:Bi ceramics have been investigated. The spectra have been resolved into elementary components by the Alentsev–Fock method. It has been established that the luminescence is attributed to emission centers of three types, two of which are due to the replacement of Y³⁺ (or Sc³⁺) by Bi³⁺ at the nodes of the crystal lattice of Y₂O₃ (or Sc₂O₃) with the point symmetry C ₂ and C _3i . The emission center Bi³⁺ in the position C_3i leads to the appearance of blue luminescence with maxima at 3.03 eV for Y₂O₃:Bi and at 3.05 eV for Sc₂O₃:Bi; this luminescence is attributed to the transition ³ P ₁–¹ S ₀. The emission center Bi³⁺ in the position C ₂ initiates green luminescence (which is also related to the ³ P ₁–¹ S ₀ transition in Bi³⁺) with a maximum in the region of 2.40 eV in Y₂O₃:Bi and in the region of 2.46 eV in Sc₂O₃:Bi. The red luminescence band with maxima at 1.85 eV in Y₂O₃:Bi and at 1.95 eV in Sc₂O₃:Bi is related to the presence of structural defects.     

Luminescence of heavily Ce-doped alkaline-earth fluorides

The spectral and kinetic parameters of M_1−xCe_xF_2+x (x=0.35, M=Ca, Sr, Ba) crystals luminescence have been studied. These characteristics are compared to the luminescence of solution base hosts: MF₂:Ce and CeF₃. The emission bands of heavily Ce-doped alkali earth fluorides are closed to the spectrum of perturbed Ce-center in CeF₃ at T=9 K. Luminescence of M_0.65Ce_0.35F_2.35 crystals reveals the efficient excitation in the UV and VUV ranges. The main feature of the emission and excitation spectra of Ce³⁺ luminescence is the displacement to the low-energy range according to the bandgap decrease in the Ca-, Sr- and Ba-based fluorides, respectively. Small Stokes shift leads to the reabsorption and light yield decrease. Luminescence peculiarities of M_1−xCe_xF_2+x solid solution and the role of Ce-enriched inclusions are discussed.     

Temperature and magnetic field dependence of the elastic properties of rare earth-cobalt laves phase compounds

Ultrasonic sound velocity measurements have been carried out in order to determine the elastic moduli, adiabatic compressibility and the Debye temperature of polycrystalline rare earth-cobalt Laves phase compounds RCo₂(R = Pr, Nd, Sm, Gd, Tb, Dy, Ho, ErandLu) and YCo₂ between 4.2 and 300 K. DyCo₂ HoCo₂ and ErCo₂ exhibit a first-order transition at T_c. In SmCo₂ and TbCo₂ the phase transition is of the second-order accompanied by a large lattice softening. NdCo₂, GdCo₂ and HoCo₂ show spin reorientations from one easy direction of magnetization to another one, at low temperatures, below T_c.The influence of an external magnetic field (up to 25 kOe) on the elastic properties of these Laves phases, the so-called ΔE effect was determined. No saturation was reached in SmCo₂, TbCo₂ and DyCo₂ in magnetic fields up to 25 kOe. The behavior of the RCo₂ compounds was compared with that of RFe₂, published earlier.     

Effect of absorbed hydrogen on magnetic behavior of Th7Co3 and Th7Ni3

The Pauli paramagnets Th₇Fe₃, Th₇Co₃ and Th₇Ni₃ become superconducting below 1.86 K, 1.83 K and 1.98 K, respectively. These compounds absorb large amounts of hydrogen to form the very hydrogen-rich phases Th₇Fe₃H₃₀, Th₇Co₃H₂₂ and Th₇Ni₃H₂₄. From magnetization studies it is found that hydrogenation results in an increase in the susceptibility of Th₇Co₃, and in a decrease in the susceptibility of Th₇Ni₃, but magnetic ordering is not observed in these two. This is in contrast to the behavior of Th₇Fe₃H₃₀ which is magnetically ordered with a Curie temperature above 350 K.     

Luminescence of excitons in single-crystal garnets

Comparative studies of the luminescence of Y₃Al₅O₁₂:Ce and Lu₃Al₅O₁₂:Ce single-crystal films and their volume analogues—Y₃Al₅O₁₂ and Y₃Al₅O₁₂:Ce single crystals, excited by synchrotron radiation with energy E=120–150 eV, have been performed. The films were grown from melt-solution by liquid-phase epitaxy and the crystals were grown from melt. The single-crystal films and single crystals studied are characterized by different degrees of structural order, in particular, different concentrations of substitutional defects of the Y _Al ³⁺ and LU _Al ³⁺ types. It was ascertained that the bands at 260 and 250 nm in the intrinsic luminescence spectra of Y₃Al₅O₁₂:Ce and Lu₃Al₅O₁₂:Ce single-crystal films and single crystals are due to the emission of self-trapped excitons. The luminescence band with λ_max=300 nm and τ=0.36 μs, which is present in the luminescence spectrum of single crystals and absent in the spectra of single-crystal films, is due to the recombination of electrons with holes localized at Y _Al ³⁺ centers. It is shown that an efficient energy transfer by excitons to activator ions occurs in Y₃Al₅O₁₂ and Lu₃Al₅O₂ single-crystal films doped with Ce³⁺ ions.     

AB initio calculations of the electronic properties of N4− in KN3

The energies of the ground state and low-lying excited states of the N₄^? defect in KN₃ have been calculated using ab initio techniques. A rectangular equilibrium geometry with dimensions X = 2.76 and Z = 2.47 a.u. and ground state symmetry of Γ₄⁺ was determined by calculating N₄^? as a free radical. For this ground state the unpaired electron is in a π orbital which is consistent with the experimental hyperfine tensor only if one edge of the N₄^? radical is parallel to the c axis in KN₃. These results were used to calculate the X²Γ₄⁺ state of N₄^? in the crystal field of KN₃, yielding an energy of ?217.899 Hartrees. The isotropic hyperfine constant was calculated to be a = 2.1 G and the components of the anisotropic hyperfine tensor as B_xx = ?3.4 G, B_yy = 7.0 G and B_zz = ?3.6 G, in good agreement with experimental and INDO results. Several excited states were calculated for the N₄^? defect in KN₃. When an estimate was made of the correlation energy, the transition energy of the X²Γ₄⁺→A²Γ₃^? transition agreed well with the peak energy of the 780 nm absorption band which has been attributed to N₄^?.     

Effect of conduction band nonprabolicity on the Rashba spin splitting of AlGaN/GaN QWs

By using the perturbation expansion method and self-consistent iterative method, we evaluate the effect of the conduction band nonprabolicity on the wave vector (k_t) dependent Rashba coefficient (α) and nonlinear Rashba spin splitting (ΔE) in the Al_0.5Ga_0.5N/GaN quantum well (QW). The effective mass (energy) under the first order approximation m_t1 (E_k1) is in proximity to the iterative result m_tp (E_kp) and m_t1>m_tp, E_k1<E_kp, showing the higher order contributions to m_t (E_k) are small. The sign of the nonparabolic correction to E_k is just opposite to that of the correction to m_t. The increase of α and ΔE due to the conduction band nonparabolicity reaches about 3% at k_t=1 nm⁻¹. Around the left heterointerface, the probability density is high and E_k0>E_kp>E_k1, so α₀<α_p<α₁, ΔE₀<ΔE_p<ΔE₁. With increasing k_t, α decreases, and ΔE increases slowly. For small k_t, α₀ (ΔE₀), α₁ (ΔE₁) and α_p (ΔE_p) are nearly the same. While for large k_t, the difference between α₀ and α₁ (α_p) increases rapidly, but the difference between ΔE₀ and ΔE₁ (ΔE_p) increases slowly.     

Electrical conductivity of binary sulphates of lithium sulphate

To engineer lithium sulphate based material with high ionic conductivity at lowest possible temperature, the electrical conductivity of binary sulphates of Li₂SO₄ with Na₂SO₄, K₂SO₄, MgSO₄, ZnSO₄ and Ag₂SO₄ has been measured in the temperature range from 513 K to 773 K. The results are interpreted on the basis of different phases present therein. Li₂SO₄:Ag₂SO₄(40:60) mol % has high ionic conductivity = 2.17×10^-3(ohm cm)^-1 at 606 K which could be utilized in power sources.     

Theoretical study of the electronic structure of a tetragonal chromium(III) complex

The low-temperature single-crystal polarized absorption and the luminescence spectra of Cs₂[CrCl₂(H₂O)₄]Cl₃ are theoretically analyzed in order to determine the electronic structure of the trans-[CrCl₂(H₂O)₄]⁺ complex. This study, based on the Racah theory, leads to a good agreement between the theoretical and experimental energy levels. The electronic-exited state ⁴T_2g(O_h) is split into ⁴E_g and ⁴B_2g components due to the lowering of the symmetry from O_h to D_4h. The polarized absorption spectrum and the theoretical energies show that the ⁴E_g(D_4h) state is lower in energy than the ⁴B_2g(D_4h) state. The resolved vibronic structure in the luminescence spectrum reveals a progression in a non-totally symmetric b_1g mode, a manifestation of a Jahn-Teller effect in the emitting state ⁴T_2g(O_h). Both Jahn-Teller and spin-orbit coupling in the orbitally degenerated ⁴E_g(D_4h) state are necessary to account for the spectroscopic observations.     

Elastic studies of phase transitions

We report some results on acoustic studies of phase transitions in which the order parameter is coupled to the elastic wave strain, when direct behaviour observation is not possible. First by Brillouin scattering it was possible to observe the softening of C₅₅ of ammonium oxalate hemihydrate and it was concluded that the order parameter is not the deformation. In the case of members of A₂MX₄ family a softening of C₆₆ related to a shear wave near the lock-in transition was observed for [N(CH₃)₄]₂ZnCl₄, as previously found for C ₅₅ of K₂SeO₄. Such a behaviour did not occur for (NH₄)₂BeF₄ in which a strong hysteresis effect appeared.     

Influence of nanoenvironment on luminescence of Euactivated SnO2 nanocrystals

The emission intensity of the peak at 612 nm (⁵D₀→⁷F₂) of the Eu³⁺ ions activated SnO₂ nanocrystals (doped and coated) is found to be sensitive to the nanoenvironment. We have compared the luminescence efficiencies of the nanocrystals of SnO₂ doped by Eu₂O₃ with those of SnO₂ coated by Eu₂O₃ and we found that the intensities are significantly higher in coated nanocrystals. Furthermore, it is clear from luminescence intensity measurements that Eu³⁺ ions occupy low symmetry sites in the Eu₂O₃ coated SnO₂ nanocrystal. The analysis suggests that the radiative relaxation rate is higher in Eu₂O₃ coated SnO₂ nanocrystals than Eu₂O₃ doped SnO₂ nanocrystals due to the asymmetric environment of Eu³⁺ ions in coated samples.     

Raman spectra of samarium-fullerene intercalation compounds

Samarium-fullerene intercalation compounds of nominal composition Sm_xC₆₀ (x=1,2,…,6) have been synthesized by a solid-state reaction method. We obtain a Sm_2.75C₆₀ superconducting phase with orthogonal structure and a Sm₆C₆₀ phase with body-centered cubic structure. The broadening and weakening of Raman peaks of the Sm_xC₆₀ compounds are due to the distortion of C₆₀ and electron-phonon interaction. The Raman measurements reveal that the distortion of C₆₀ decrease in Sm_xC₆₀ (x=3,4,5) exposed to air, although the fulleride solids have transformed into an amorphous state. The Raman results also show that the distortion of C₆₀ is still very large in the Sm₆C₆₀ exposed to air, or the C₆₀ molecules have been destroyed and become some amorphous carbide.     

Luminescence centers in thin films of yttrium oxide and yttrium-aluminum garnet activated with bismuth

Luminescence spectra and photoluminescence excitation spectra of Y₂O₃:Bi and Y₃Al₅O₁₂:Bi thin films were investigated. Luminescence was stimulated by the emission from two types of centers that were associated with the substitution of Bi³⁺ for Y³⁺ in sites of the crystal lattice of Y₂O₃ (Y₃Al₅O₁₂) with point symmetries C₂ and C_3i (D₂ and C_3i). The emission of Bi³⁺ in the site with point symmetry C_3i causes blue luminescence in both Y₂O₃:Bi and Y₃Al₅O₁₂:Bi films with maxima at 3.03 eV and 3.15 eV, respectively, that is related to the ³P₁-¹S₀ transition. The emission of Bi³⁺ in the site with point symmetry C₂ gives green luminescence in Y₂O₃:Bi with the maximum at 2.40 eV that is also related to the ³P₁-¹S₀ transition. The emission of Bi³⁺ in the site with point symmetry D₂ leads to ultraviolet luminescence in Y₃Al₅O₁₂:Bi with the maximum at 3.75 eV that corresponds to the ³P₁-¹S₀ transition. The red luminescence band with the maximum at 1.85 eV in Y₂O₃:Bi is due to the presence of structural defects. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 2, pp. 202–207, March–April, 2008.