Magnetic hysteresis of the magnetoresistance and the critical current density in polycrystalline YBa2Cu3O7−δ–Ag superconductors

A systematic study of the magnetic hysteresis in transport properties of polycrystalline YBa₂Cu₃O_7−δ–Ag compounds has been made based on two kinds of measurements at 77 K and under applied magnetic fields up to 30 mT: critical current density J_c(B_a) and magnetoresistance R(B_a). The R(B_a) curves show a minimum in their decreasing branch occurring at B=B_min which was found to be both the excitation current I_ex and the maximum applied magnetic field B_am dependent. In addition, for a certain value of B_am>5 mT, we have observed that B_min increases with increasing I_ex and reaches a saturation value. The J_c(B_a) curves show a maximum in decreasing applied magnetic fields occurring at B=B_max. We have also found that B_max increases with increasing B_am and reaches a saturation value. The minimum in the R(B_a) and the maximum in J_c(B_a) curves were found to be related to the trapped flux within the grains. All the experimental results are discussed within the context of the flux dynamics and transport mechanisms in these high-T_c materials.     

Unusual current‐voltage characteristics of single crystalline and bicrystalline La0.7Ca0.3MnO3 films

The current‐voltage characteristics of single crystalline and bicrystalline La_0.7Ca_0.3MnO₃ films were measured and analyzed. Several epitaxial films, as well as 45° [001]‐tilt grain boundaries, display current‐voltage characteristics which are asymmetric with respect to polarity reversal of the bias current. One epitaxial film has a polarity dependent resistance of ～340kΩ and of ～670kΩ in forward and in reverse direction, respectively.     

空间非相干多分量光束构成的非相干耦合屏蔽孤子对

两束本身具有空间非相干性的非相干多分量光束可以在光折变介质中形成非相干耦合 屏蔽孤子对，利用相干密度法得到了亮 亮、暗 暗型耦合孤子对的解，并研究了构成 非相干孤子对分量光束的相干组分的传播特性. 关键词： 空间非相干多分量光束 耦合孤子对 相干密度 相干组分     

单粒子势模型下价核子的密度分布

依据实验事实，利用单粒子势模型，计算了一些核态外层价核子的密度分布.计算给出了价核子在核外部分布的概率和贡献，以此作为晕核态的判断标准.通过研究均方根半径随结合能变化的规律，指出了晕核态存在的条件，尤其是质子晕核态存在的条件.这些对判断和寻找晕核态有现实的指导意义. 关键词： 单粒子势模型 价核子 密度分布 中子晕核态 质子晕核态     

多束速调管的增益带宽

 研究了M个束、N个共振腔的多束速调管(MBK)的增益和带宽，得到了描述小信号增益和带宽与器件结构参数和电子束参数关系的公式，给出了在不同参数下增益随频率的变化曲线。分析了多腔对增益，多束对带宽的影响。计算结果表明：多腔可以提高增益；多束可以降低Q值，从而可以增中带宽，带宽增加工了3.6%，还可以提高增益；对于MBK，频率交叉调谐对增加带宽不如频率调谐好；空间电荷波只对增益有影响，对带宽没有影响。最后，预估一种L带多束速调管的增益带宽为8.1%。     

Structural optimization design for large mirror

The system design must be started from the concept with low cost and high performance. In this point, the topological shape of the structure is very important in the view of the structural rigidities and light-weight design.In this paper, the optimization methodology is presented in the design stage of the large optical mirror. We obtain the optimal layout through the topology optimization and then design the details through the size or shape optimization for structural rigidity.     

A Generalized Unpaired Electron Spin Density Equation and Organic Hyperconjugation Mechanism

A large class of stereochemcial and related interactions in organic chemistry are repulsive and others are attractive, but the relative orientation of two methyl groups and the amount of energy required to twist one relative to the other (the hindered rotation energy barriers), or the alignment of such a group with respect to a conjugated ring to which it is attached (widely attributed to a mechanism called “hyperconjugation”) are estimated to be small in compared with the total energy of the molecule. We used theories of both isotropic and anisotropic proton hyperfine interactions in the π‐electron systems developed in the early sixties. They are approximated by the magnetic dipole nteractions between each proton and an electron spin magnetization that is distributed in 2s and 2p Slater atomic orbitals center on carbon atoms. We have extended these theories to the non‐planar olefinic cation radicals, which are very important in biochemistry as well as in petroleum catalysis. A three dimensional electron spin density equation has been developed in this paper to handle some Jahn‐Teller vibronic molecules. The new electron spin density equation related the observed proton hyperfine splittings to the non‐planar structures of the open‐chain alkene cation radicals generated by radiolysis and various chemical oxidation methods. The spin densities and the conformational calculations based on valence bond theory and symmetry principles are compared with some more elaborated molecular orbital calculations in the literature. The localized valence bond approaches are better in accord with our experimental results. The anomalous line‐width effect of the four methyl groups observed in the 2,3‐dimethyl‐2‐butene cation radicals also confirmed the positive sign of the electron‐proton hyperfine constant of hyper‐conjugation mechanism. A methyl substituent attached to a conjugated molecule often behaves as if it formed part of the region of conjugation; the charge appears to flow from the methyl group into the π electron system and it may also give rise to an appreciable dipole moment. Methylation also gives rise to an appreciable dipole moment, and the resultant red shift of electronic absorption bands is of some importance in the design of dye molecules.     

Ab-initio simulation of elastic constants for some ceramic materials

Athermal elasticity for some ceramic materials (α-Al₂O₃, SiC (α and β phases), TiO₂ (rutile and anatase), hexagonal AlN and TiB₂, cubic BN and CaF₂, and monoclinic ZrO₂) have been investigated via density functional theory. Energy-volume equation-of-state computations to obtain the zero pressure equilibrium volume and bulk modulus as well as computations of the full elastic constant tensor of these ceramics at the experimental zero pressure volume have been performed. The present results for the single crystal elasticity are in good agreement with experiments both for the aggregate properties (bulk and shear modulus) and the elastic anisotropy. In contrast, a considerable discrepancy for the zero pressure bulk modulus of some ceramics evaluated from the energy-volume fit to the computational zero pressure volume has been observed.     

Applications of density functional theory methods in millimeter‐wave spectroscopy

Density functional theory (DFT), using the most common functionals, and ab initio quantum chemistry methods are used to calculate the rotational constants and dipole moments of the astrophysically important molecules HCN, CH₃CN, CH₃CNH⁺, HCCCN, and HCCNC. As far as millimeter‐wave spectroscopy is of interest the DFT methods performed well with most functionals, giving results within ±1% of experiments for rotational constants and ±3% for dipole moments. Analyzing the results obtained with all theoretical models, it may be concluded that the Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Paar (B3LYP) and Becke's three‐parameter functional with Perdew–Wang correlational functional [B3PW91/6‐31G(d, p)] give the best performances. A detailed analysis of the electron correlation effects shows that HCCCN is more stable than is HCCNC, by 1.16 eV, with important contribution arising from triple excitations. This result is also compared with those obtained with DFT methods. Despite occasional difficulties, DFT with the currently available functionals are of great utility in quickly assessing spectroscopic parameters of astrophysical interest. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003