Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates

The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination.     

粒子-转子模型和推转壳模型中的能谱统计分析

用粒子–转子模型和推转壳模型研究了6个粒子分别填充在单j壳和双j壳上的混沌行为.分析了单j壳和双j壳情况下能谱的最近邻能级间距分布和谱刚度随自旋及推转频率的变化,结果表明,当组态空间大小不变时,系统在双j壳(g_7/2+d_5/2)情况下比在单j壳(i_13/2)情况下更规则,而当组态空间从单j壳(i_13/2)扩大到双j壳(i_13/2+g_9/2)时,系统的混沌程度变化不大.同时比较了将6个粒子的两体相互作用分别取为δ力和对力时的系统的混沌行为     

An admissible minimax estimator of a bounded scale-parameter in a subclass of the exponential family under scale-invariant squared-error loss

A subclass of the scale-parameter exponential family is considered and for the rth power of the scale parameter, which is lower bounded, an admissible minimax estimator under scale-invariant squared-error loss is presented. Also, an admissible minimax estimator of a lower-bounded parameter in the family of transformed chi-square distributions is given. These estimators are the pointwise limits of a sequence of Bayes estimators. Some examples are given.     

U：CaF2晶体的分凝特性与光谱性质

应用TGT法生长了直径为75mm的U：CaF2晶体，宏观上透明完整.应用公式K0=Cs/Cl计算了U在CaF2晶体中的分凝系数等于0.53.应用溶质分布一般公式Cs=K0C0(1-g)K0-1，计算U的浓度分布与测量值，数值符合说明晶体生长过程接近平衡状态.分析不同条件下生长的U: CaF2晶体的晶胞参数和吸收光谱，结果表明生长气氛决定U的价态及电荷补偿机理：无PbF2存在的条件下，U为+4价，晶体呈绿色；PbF2的加入起到氟化去氧作用，U倾向于以离子半径最接近于Ca2+的U3+存在，晶体呈红色.从晶体生长开始到结束的部位，U3+:CaF2晶体吸收光谱的峰位不变，峰强呈现与U浓度相同的增加趋势.U3+:CaF2晶体外层厚约5mm处呈黄色，含有U3+和U2+的混合价态离子，其原理是石墨坩埚的还原作用通过单质铅，使部分的U3+进一步还原成了U2+. 关键词： 铀 氟化钙晶体 分凝系数 晶胞参数     

Equilibrium Problems with Applications to Eigenvalue Problems

In this paper, we consider equilibrium problems and introduce the concept of (S)₊ condition for bifunctions. Existence results for equilibrium problems with the (S)₊ condition are derived. As special cases, we obtain several existence results for the generalized nonlinear variational inequality studied by Ding and Tarafdar (Ref. 1) and the generalized variational inequality studied by Cubiotti and Yao (Ref. 2). Finally, applications to a class of eigenvalue problems are given.     

The production of slow particles in 16O－Em interactions at 4.5 A GeV/c

A sample of 1233 events is used to study the general characteristics of {}^{16}O－Em interactions at 4.5 A GeV/c. Multiplicity and angular distributions of slow particles and correlations among them are discussed. The present data are compared with the corresponding results from the interactions of other projectiles at the same energy and also the same projectile at different energies. The results indicate that black particle production is independent of the energy and mass of the projectile, but for grey particles it is dependent on the mass of projectile.     

Cochran's statistical theorem for outer inverses of matrices and matrix quadratic forms

We extend the matrix version of Cochran's statistical theorem to outer inverses of a matrix. As applications, we investigate the Wishartness and independence of matrix quadratic forms for Kronecker product covariance structures.     

一个线性约束优化问题的广义梯度投影法

本文对线性约束优化问题提出了一个新的广义梯度投影法，该算法采用了非精确线性搜索，并在每次迭代运算中结合了广义投影矩阵和变尺度方法的思想确定其搜索方向．在通常的假设条件下，证明了该算法的整体收敛性和超线性收敛速度．     

Stress Distribution in an Infinite Elastic Body with a Locally Curved Fiber in a Geometrically Nonlinear Statement

Within the framework of a piecewise homogeneous body model, with the use of three-dimensional geometrically nonlinear exact equations of elasticity theory, a method for determining the stress—strain state in unidirectional fibrous composites with locally curved fibers is developed for the case where the interaction between the fibers is neglected. All the investigations are carried out for an infinite elastic body containing a single locally curved fiber. Numerical results illustrating the effect of geometrical nonlinearity on the distribution of the self-balanced normal and shear stresses acting on the interface and arising as a result of local curving of the fiber are presented.__________Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 41, No. 4, pp. 433–448, July–August, 2005.     

Effect of induced shielding current transmission in longitudinal direction on levitation force of melt grown single-domain YBa_2Cu_3O_(7-x) cylindrical superconductor

YBa2Cu3O7-x (YBCO) bulk is one of the most important high temperature superconducting materials for magnetic levitation applications, because it has a high magnetic irreversibility field Hirr at liquid nitrogen temperature, and can grow into large grains. The levitation force of YBCO bulk is proportional to the critical current density (Jc) and grain radius (r)[1], so higher Jc and r are appreciated for YBCO bulks to achieve higher levitation force. Now single-domain YBCO bulks up to s…