The effect of oxygen vacancy on the oxide ion mobility in LaAlO3-based oxides

The electrical property of (La_1−xSr_x)_1−z(Al_1−yMg_y)O_3−δ (LSAM; x≤0.3, y≤0.15 and z≤0.1) was measured using the DC four-probe method as a function of temperature (500–1000°C) and oxygen partial pressure (1–10⁻²² atm). Among LSAMs, (La_0.9Sr_0.1)AlO_3−δ showed the highest ionic conductivity, σ_i=1.3×10⁻² S cm⁻¹ at 900°C. A simultaneous substitution at A and B sites or A site deficiency is expected to create larger oxygen vacancy and higher ionic conductivity. However, it showed a negative effect. The effect of the vacancy increase did not effect monotonously the ionic conductivity. It was found that the concentration of oxygen vacancy, [V_O], influences not only the oxide ion conductivity, σ_i, but also the mobility, μ_v, of [V_O]. These properties exhibit a maximum at around [V_O]=0.05. With the increase in [V_O], the activation energy, E_a, of the ionic conduction dropped from 1.8 to ca. 1.0 eV at [V_O]=0.05 and became almost constant at [V_O]>0.05. The dependency of the pre-exponential term, μ⁰_v, and E_a on [V_O] was analyzed and their effect on μ_v and σ_i was discussed with respect to crystal structure and defect association. It was estimated that the crystal structure mainly governs these properties. The effect of defect association could not be ignored but is considered to be a complicated correlation.     

Phonon frequency shift and effect of correlation on the electron-phonon interaction in heavy fermion systems

The electron-phonon interaction in the periodic Anderson model (PAM) is considered. The PAM incorporates the effect of onsite Coulomb interaction (U) between f-electrons. The influence of Coulomb correlation U on the phonon response of the system is studied by evaluating the phonon spectral function for various parameters of the model. The numerical evaluation of the spectral function is carried out in the long wavelength limit at finite temperatures keeping only linear terms in U. The observed behaviour is found to agree well with the general features obtained experimentally for some heavy fermion (HF) systems.     

双芯耦合光纤中高阶色散对光孤子相互作用的影响

利用变分原理对耦合纤芯中传输光孤子之间的相互作用和形成束缚孤子态的条件进行了研究，发现高阶色散减弱甚至可以消除光孤子之间的相互作用。这一结果为耦合光纤器件的设计提供了一种实用消除光孤子之间相互作用的方法。     

Theory of high temperature superconductivity in YBa2Cu3O7_δ

A theory of high temperature superconductivity in YBa₂Cu₃O₇__δ compound has been developed on the basis of the momentum pairing of electrons through the relativistic Darwin interaction. The transport behaviour of electrons is explained in terms of a mechanism of correlated electron transfer arising from the electron-phonon coupling. A model Hamiltonian has been developed to describe the superconducting properties of the system. This gives an energy gap which is higher than the BCS value. Attempts have been made to explain the absence of isotope effect, the linear dependence of specific heat, the presence of larger temperature-independent paramagnetism in the normal phase and the softening of some of the optic phonon modes observed in this system.     

非线性单模光纤中源啁啾孤子相互作用

本文采用分步傅氏变换法对非线性单模光纤中源啁啾孤子相互作用进行了详细的数值研究.所得结果揭示了先源啁啾对孤子相互作用影响的本质,为设计光源啁啾情况下的孤子传转系统提供了依据.     

Cooperative interaction between π-hole and single-electron σ-hole interactions in O2S···NCX···CH3 and O2Se···NCX···CH3 complexes (X = F,Cl, Br and I)

Ab initio calculations are performed to analyse the cooperative effects between π-hole and single-electron σ-hole interactions in O₂S···NCX···CH₃ and O₂Se···NCX···CH₃ complexes, where X = F, Cl, Br and I. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by UMP2/aug-cc-pVTZ(-PP) method. Our results indicate that the shortening of the each π-hole bond distance in the complexes is dependent on the strength of the σ-hole interaction. The maximum and minimum energetic cooperativity values correspond to the most and least stable complexes studied in the present work. The cooperativity between both types of interaction is chiefly caused by the electrostatic effects. The topological analysis, based on the quantum theory of atoms in molecules, is used to characterise the interactions and analyse their enhancement with varying electron density at bond critical points.     

Irregular mixing due to a vortex pair interacting with a fixed vortex

The paper examines scalar advection caused by a point–vortex pair encountering a fixed point vortex in a uniform flow. The interaction produces two types of vortex motion. First is unbounded as the pair moves unrestrictedly after encountering the fixed vortex. The scalar exchanging between the pair's bubble and fixed vortex's neighbourhood is numerically estimated. Second is bounded as the pair's vortices periodically oscillate about the fixed vortex. The pair's periodic motion perturbs scalar motion causing a portion of scalar trajectories to manifest chaotic behaviour. We analyse scalar transport using Poincaré sections, which reveal regular and chaotic transport regions.     

共面不对称条件下Ar原子(e,2e)反应的三重微分截面

采用修正的扭曲波玻恩近似(DWBA)方法,计算了共面、大能量损失和小动量转移这一特殊几何条件下电子碰撞Ar(3p6)(e,2e)反应的三重微分截面.理论方法对(e,2e)反应过程近程极化势进行了修正,并引入Gamow因子表示后碰撞相互作用(PCI).将计算结果与实验结果、标准DWBA计算结果及Gamow因子修正后的DWBA-G计算结果进行了比较,发现极化效应起着重要的作用.     

缘线匹配对非定常流动影响初探

为深化缘线匹配对叶轮机非定常流动影响的认识,本文以关注尾迹撞击叶表展向轨迹为出发点,围绕缘线匹配对叶轮机非定常流动及性能影响进行了初步数值探索.研究表明:不同缘线匹配时叶片整体性能参数具有不同的脉动水平;给定缘线匹配下,整体性能参数脉动幅值随工况几乎不变或变化很缓;在设计点为达到降低某种脉动目的而实施的缘线匹配在非设计点同样有效;尽管微弱,数值模拟中还发现缘线匹配对上游尾迹随流掺混产生影响;缘线匹配严重影响时均相关项量值水平,尤其在叶尖、叶根和前缘附近.     

Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

Nine low-lying electronic states of the AsP molecule, including Σ , Ⅱ, and △ symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method.The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present.Three quintet states are reported for the first time.Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.