BrV离子4p^3—4s4P^2跃迁的能级和振子强度

利用组态相互作用理论和参数外推方法,计算了BrV离子4p~3 4s4p~2跃迁的能级、谱线波长和电偶极跃迁的振子强度。4s4p组态的能级计算值与已有数据很符合,4p~3组态的能级以及4p~3-4s4p~2跃迁的谱线波长和振子强度纯属预言值。     

类锂等电子系列（1s2p2p）^4Pe和（1s2s2p）^4P^0态的能量和？…

利用改进的马鞍点方法,截断变分方法,并考虑能量的相对论修正和质量极化效应,计算和研究了类理等电子系列的两个四重态（１ｓ２ｐ２ｐ）＾４Ｐ＾０和（１ｓ２ｓ２ｐ）＾４Ｐ＾０态的精细结构和平均跃迁波长,并与实验和其它理论计算结果进行了比较 。     

Li_3VO_4-Li_4SiO_4-Li_4GeO_4赝三元系相图的研究

本文用差热分析法和高温、室温X射线衍射法对Li_3VO_4,Li_4SiO_4的相变过程,Li_3VO_4-Li_4SiO_4,Li_3O_4-Li-4GeO_4赝二元系相图以及Li_3VO_4-Li_4SiO_4-Li_4GeO_4赝三元系相图室温截面进行了研究。发现在Li_3VO_4-Li_4SiO_4,Li_3VO_4-Li_4GeO_4赝二元系中,由于Li_4SiO_4或Li_4GeO_4的加入而使Li_3VO_4的高温γ_(II)相稳定存在于室温,从而得到一种新的具有高电导率的锂离子导体。作者认为探寻使高温态稳定存在于室温的方法是探索新的离子导体研究中有效途径之一。     

Li_4SiO_4-Li_3VO_4赝二元系和Li_4GeO_4-Li_4SiO_4-Li_3VO_4赝三元系中新的锂离子导体

本文在室温到300℃的温度范围内研究了Li_4SiO_4-Li_3VO_4和Li_4GeO_4-Li_4SiO_4-Li_3VO_4体系中的离子导电性,发现γ_(II)相固溶体Li_(3 x)V_(1-x)Si_xO_4是好的锂离子导体。所研究的成分中Li_(3.3)V_(0.7)Si_(0.3)O_4的离子电导率最高,室温下为1×10~(-5)Q~(-1)·cm~(-1),在42—192℃的电导激活能为0.36eV,电子电导率可以忽略,因而这是迄今所发现的最好的锂离子导体之一。粗略确定了Li_4GeO_4-Li_4SiO_4-Li_3VO_4三元系中电导率高的范围,发现在Li_(3.5)V_(0.5)Ge_(0.5)O_4中Si部分取代Ge可以使电导率进一步提高,Li_(3.5)V_(0.5)Ge_(0.4)Si_(0.1)O_4的室温电导率可达1.3×10~(-5)Q~(-1)·cm~(-1),电导激活能为0.40eV。     

Liquid-crystalline properties of 4-alkyl-, 4-alkyloxy and 4-halogene-4′-hydroxyazobenzene alkyloates

Twenty one esters, 4-alkyl-, 4-alkyloxy-, 4-nitro- and 4-halogene-4′-hydroxyazobenzne alkyloates have been synthesised. Basing on the DSC calorimetry and polarizing microscopy liquid- crystalline polymorphism was investigated. Five types of mesophases were identified: nematic, smectics A, C, F and unknown X (probably G).     

Physical characterisation of 4′-butyl-4-heptyl- bicyclohexyl-4-carbonitrile

We report measurements of birefringence, bend elastic constant, principal dielectric constants and conductivities as functions of temperature in the nematic phase of 4′-butyl-4-heptyl-bicyclohexyl-4-carbonitrile (CCN-47). The compound exhibits a small birefringence and a large negative dielectric anisotropy. Surprisingly, it shows a negative conductivity anisotropy, which probably owes its origin to the structural details of the molecules. The orientational order parameters (S) are estimated from both birefringence and dielectric anisotropy, and they agree well in the entire nematic range. The experimental results are compared with those on CCH7, which has a similar core structure but with a longitudinal dipole moment, in place of the transverse one of CCN-47.     

The 4s~24p~3—4s4p~4 transition in Cd ⅩⅥ

The available experimental energies for the 4s~24p~3 and 4s~4p~4 configurations in As Ⅰ—like Sr Ⅵ—Ag Ⅹ Ⅴions are compared with the values calculated using the Hartree—Fock method including configuration interaction and relativistic corrections. Some energy values of the 4s~24p~3 configuration in Rh Ⅹ Ⅲ、Pd Ⅹ Ⅳ and Ag Ⅹ Ⅴ ions are improved and all the energies、wavelengths and transition probabilities of the 4s~24p~3—4s4p~4 transition array in Cd Ⅹ Ⅵ are presented.     

TcⅪ离子的4s~24p~3—4s4p~4跃迁

通过对KrⅣ—MoⅩ离子4s4p~4组态能级结构的组态相互作用理论分析,找出了其沿等电子系列变化的规律性。在此基础上预言了TcⅪ离子的4s4p~4组态能级。结合前人对4s~24p~3组态的研究结果,进一步计算了4s~24p~3—4s4p~4跃迁的谱线波长和振子强度。     

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通过离散元法初步模拟了微球在重力作用下的堆积行为,并分析了氚增殖区Li4SiO4球床的局部堆积结构.研究结果表明,摩擦系数和恢复系数对球床最终堆积结构有很大的影响.当摩擦系数较小时,摩擦系数对球床堆积结构的影响起主要作用;当摩擦系数较大时,恢复系数对球床堆积结构的影响起主要作用.球形颗粒从靠近壁面处的规则分布逐渐过渡到内部区域的均匀随机分布.球床局部堆积因子表现出了明显的壁面效应,其分布随着微球到壁面距离的增加而呈现出振幅逐渐减小的振荡趋势.所得到的球床堆积结构信息可用于研究球床传热特性和提氚气体流动特性的随机堆积球床模型的建立.     

Physical properties of B_4N_4-Ⅰ and B_4N_4-Ⅱ:First-principles study

The structural, mechanical, electronic, mechanical anisotropy, and thermal properties of boron nitride(BN) polymorphs, such as B_4 N-4-Ⅰ and B4 N4-Ⅱ, are investigated under ambient pressure utilizing first-principles generalized gradient approximation calculations using an ultrasoft pseudopotential scheme. The phonon spectra and elastic constants reveal that B_4 N_4-Ⅰ is dynamically and mechanically stable at the pressure of 0 GPa and temperature of 0 K. Anisotropic calculations indicate that both B_4 N_4-Ⅰ and B4 N4-Ⅱ exhibit higher anisotropy of Young's modulus than cubic BN(c-BN). B_4 N_4-Ⅱ and B_4 N_4-Ⅰ present indirect and wide band gaps of 5.32 eV and 4.86 eV, respectively. In addition, B_4 N_4-Ⅰ is more brittle than B_4 N_4-Ⅱ. Moreover, the minimum thermal conductivity,κmin, of B4 N4-Ⅱ at 300 K is 1.92 W/(cm·K), which is slightly higher than those of B_4 N_4-Ⅰ and c-BN(1.84 W/(cm-K) and 1.83 W/(cm-K), respectively. However, κ_(min) of B_4 N_4-Ⅰ is slightly higher than that of c-BN.     

A possible constructive approach to φ 4 4

We propose a constructive approach to ₄ ⁴ . It is based on formulating the ₄ ⁴ theory as an implicit function problem using multiplicative renormalization. For the corresponding lattice formulation we reduce the problem to verifying three conjectures. One conjecture is a regularity condition. The remaining two concern properties of the classical Ising ferromagnet, one of which we discuss in the frame work of critical point analysis.     

类镓等电子序列ZrⅩ-RhⅩⅤ离子的4s~24p-4s~24d、4s~24p-4s4p~2、4s~24p-4s~25s、4p~3-4s~25s以及4s4p~2-4p~3跃迁谱线和振子强度的理论计算

本文对类镓等电子序列ＧａⅠ—ＸｅⅩⅩⅠⅤ离子４ｓ２４ｐ、４ｓ２４ｄ、４ｓ４ｐ２、４ｐ３和４ｓ２５ｓ组态能级结构和组态相互作用进行了理论分析，找出沿等电子序列的变化规律。用作者提出的半经验公式［１］，内插预测了ＴｃⅩⅢ离子的４ｓ２４ｐ、４ｓ４ｐ２和４ｓ２５ｓ组态能级，外推预测了ＴｃⅩⅢ—ＲｈⅩⅤ离子的４ｐ３和４ｓ２４ｄ组态能级，并给出了４ｓ２４ｐ４ｓ２４ｄ、４ｓ２４ｐ４ｓ４ｐ２、４ｓ２４ｐ４ｓ２５ｓ、４ｐ３４ｓ２５ｓ和４ｓ４ｐ２—４ｐ３谱线波长和ＨＸＲ方法理论计算振子强度。用作者提出的半经验公式对组态能级的预测值与实验值的最大偏差小于１００ｃｍ－１。