Electronic Structures of Square Planar Coordinated Transition Metal Ions in Compounds with Gillespite Structure

Electronic structures of square planar coordinated transition metal ions in BaCuSi₄O₁₀ and CaCrSi₄O₁₀ are investigated using the ligand-field theory (LFT), angular overlap model (AOM) and iterative extended Hückel molecular orbital theory (IET). The electronic energy levels of the natural mineral dioptase are also investigated, in which the Cu²⁺ ions occupy the sites of pseudo D_4h symmetry. Both LFT and AOM predict that the crystal-field levels of transition metal ions in these compounds follow such an order that E (²B_1g <E(²B_2g <E(²A_1g )<E(²E_g ), and the frequencies of the crystal-field transitions obtained from point charge calculations are in good agreement with those observed. However, the energy-level order cannot be determined unambiguously from the IET calculation because it depends on the values of parameters chosen for the calculation.     

涡旋诱发重联模型（Ⅰ）——动力学特性

本文首先从理论上系统地研究了涡旋诱发重联的基本动力学特性.包括:涡旋诱发重联的物理机制;Kelvin-Helmholtz（K-H）不稳定性和撕裂模不稳定性耦合过程;磁流体涡管的基本特性;不同尺度涡旋间的相互作用,动能和磁能间的转化及准稳态时流线、磁力线、等涡度线和等电流密度线的相似性等.用二维MHD数值模拟方法研究了上述一些特性,并与理论分析结论进行了比较.结果表明,模拟结果证实了理论推论.涡旋诱发重联是产生局部磁场重联的重要机制之一,该模型在磁顶区的应用将另文发表.     

薄壁取样管的选用

本文分析了取样管的材质、壁厚和腐蚀对土样质量的影响,不同管材与壁厚的刚度关系,提出了薄壁管的使用条件及合理的壁厚,为正确选用薄壁管提供了依据.