Activation and diffusion of ammonia borane hydrogen on gold tetramers

One of the most serious candidates for safe storage of high hydrogen densities is ammonia borane, AB. Likewise, one of the most versatile catalysts known is gold in the form of atomic clusters. Taking these elements into account, in this work a density functional theory ‐based study about initial activation, detachment, and diffusion of ammonia borane hydrogen on gold tetramer, as a catalyst model, is developed. It was found that the total process is exergonic and that the hydrogen diffusion occurs with very low energy barriers. The process has a hydrogen detachment energy barrier lower than the one of the uncatalyzed AB, and that is easily overcome by the energy expelled in the previous stage of formation of the initial activated species. Additionally, all the process is assisted by the fluxionality of the gold cluster, and occurs via a unique catalytically activated initial species, which contains a three‐center simultaneous interaction at the catalytically activated zone.     

On a theorem of Cantor-Bernstein type for algebras

Freytes proved a theorem of Cantor-Bernstein type for algbras; he applied certain sequences of central elements of bounded lattices. The aim of the present paper is to extend the mentioned result to the case when the lattices under consideration need not be bounded; instead of sequences of central elements we deal with sequences of internal direct factors of lattices. This work was supported by Science and Technology Assistance Agency under the contract No APVT-51-032002.     

The relative Chebyshev centers of finite sets in geodesic spaces

In the present paper we estimate variation in the relative Chebyshev radius R _W (M), where M and W are nonempty bounded sets of a metric space, as the sets M and W change. We find the closure and the interior of the set of all N-nets each of which contains its unique relative Chebyshev center, in the set of all N-nets of a special geodesic space endowed by the Hausdorff metric. We consider various properties of relative Chebyshev centers of a finite set which lie in this set.     

幻方的几个充要条件

建立等重方阵的概念,并运用它阐述幻方、2次幻方、3次幻方及中心对称互补幻方的充要条件,根据这些结论构作出一些8阶、9阶2次中心对称互补幻方.     

践行宽容失败理念 开发实验失败之教学价值

引导教师审视实验失败(失误)的教学价值,营造出宽容失败、善待挫折、鼓励成功的氛围。通过建立"错误病历"和"会诊"制度、提供实验补做条件、改进新设实验项目、建立"实验失败探索—科研训练—毕业设计"互通机制、在实验失败中寻找科研灵感并孵化研究课题等措施,初步建立起实验失败中的教学资源的开发机制。     

星模拟器星点能量中心修正方法的研究

对星模光学系统中各种像差对几何中心位置的影响及像差对显示星点能量中心位置造成的偏差进行了分析与综合评估.分析结果表明,视场位置越大的星点产生的像点能量越不均匀,重心偏移越明显,系统中慧差和畸变对于星点能量中心影响较大.根据球面镜组成的共轴光学系统性质可知,能量中心的偏移发生在星点所在极半径方向上,因此提出了一种基于极坐标的星点位置修正方法,只需在星点所在方向对极半径进行修正.该方法简化了基于二维坐标轴分区修正的过程,减少了数据计算量.利用极坐标修正方法对星模拟器修正前后的单星位置误差进行了测试,实验结果表明极坐标修正过程较以往修正方法简单快捷,且修正结果更加准确.     

气源分子束外延生长的InPBi薄膜材料中的深能级中心

利用深能级瞬态谱(DLTS)研究了气源分子束外延(GSMBE)生长的InP1-xBix材料中深能级中心的性质。在未有意掺杂的InP中测量到一个多数载流子深能级中心E1,E1的能级位置为Ec-0.38 e V,俘获截面为1.87×10~(-15)cm~2。在未有意掺杂的InP0.9751Bi0.0249中测量到一个少数载流子深能级中心H1,H1的能级位置为Ev+0.31 eV,俘获截面为2.87×10~(-17)cm~2。深中心E1应该起源于本征反位缺陷PIn,深中心H1可能来源于形成的Bi原子对或者更复杂的与Bi相关的团簇。明确这些缺陷的起源对于InPBi材料在器件应用方面具有重要的意义。     

一端附壁高分子链的Monte Carlo研究

采用简立方格点上的Monte Carlo模拟,研究一端被无限大不可穿透平面壁吸附的高分子链的均方末端距<R²>,以及高分子链的质量中心到平面吸附壁的平均距离<Z>,与链长N、参数u(u=e^-ε/kT,ε是链骨架原子间的相互作用能量,k是玻耳兹曼常数,T是热力学温度)的关系。结果表明:<R²>和<Z>都服从标度律,<R²>=αN^γ,<Z>=βN^η,其中,γ、η、α、β都是u的函数;u从1减小到0.5,则γ从1.01增大到1.19,η从0.51增大到0.60.     

环形孔径高斯光束的远场特性

 讨论了环形孔径高斯光束的远场光斑能量分布,并给出了拟合表达式。首先推导了光束没有抖动时远场光斑的光能分布表达式,然后研究了各种不同中心遮拦和不同光束截断比, 在有以及没有激光束抖动的情况下,对高斯光束的远场环围能量的分布变化的影响。