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Firstly, the diffusion of oxygen atom from the SFCC to SHCP on Zr(0001) surface is calculated. The active energy for the diffusion is 0.77eV. Secondly, the diffusion of oxygen atom from the SFCC to Octa(2,3) via Octa(1,2) is calculated too. There are 2 energy barriers for oxygen atom to overcome, the active energies are 2.14eV and 2.57eV.

我们首先计算了氧原子从稳定的表面面心立方位置向表面六角密排位置的扩散，其扩散激活能为0.77eV；然后计算了氧原子从稳定的SFCC位置扩散到表面下第1层与第2层之间的八面体间隙Octa(1，2)位置，然后继续向表面下第2层与第3层之间的八面体间隙Octa(2，3)位置扩散，在此过程中氧原子需克服2个能垒，其激活能分别为2.14eV和2.57eV。

Transition probabilities, oscillator strengths, and lifetimes of configurations, multiplets, and individual lines for many-electron atoms and ions are studied employing the WBEPM theory. Transition probabilities and oscillator strengths for alkali metal atoms, alkaline-earth elements Be, Mg, Be , and Mg , carbon atoms and its ions , nitrogen atom and its ions , oxygen atoms and its ions , fluorine atom, Ne , and IB elements are calculated. Lifetimes of C, N, and O atoms are evaluated as well.

运用WBEPM理论对多电子原子和离子的组态、谱项和能级间的跃迁几率、振子强度以及辐射寿命进行系统地研究，计算了碱金属原子、碱土金属的Be、Mg原子及其一价离子、C原子及其离子、N原子及其离子、O原子及其离子、F原子、Ne离子和重金属IB族原子的跃迁几率和振子强度以及C、N、O原子的辐射寿命。

The invention relates to a method for the extraction of keratin from dead animal skins, characterised in the treatment of dead animal skins with a substance of general formula, or at least one corresponding alkali metal, earth alkali metal, ammonium, or phosphonium salt, the variables having the following definitions: R, R = together or independently, H, C6-C14 aryl, C1-C12 alkyl, unsubstituted or substituted with one or several SH or OH groups, R, R = together or independently, H, C6-C14 aryl, C1-C12 alkyl, unsubstituted or substituted with one or several SH or OH groups, whereby at least one of R or R is not H, or R and R are not H and two vicinal groups of R to R together may be C3-C10 alkylene, R = H, C1-C12 alkyl, H-C=O or C1-C4-Alkyl-C=O, X, X, X and X = OH, SH or NHR, whereby where Rto R contains at least one sulphur atom, at least one of X to X = SH and where R to R contains no sulphur atom, at least two of X to X= SH.

本发明涉及一种从死亡动物原皮中除去角质的方法，其特征在于用通式I的物质或至少一种对应的碱金属盐、碱土金属盐、铵盐或∴盐处理死亡动物原皮，式I中各变量定义如下：R 1 和R 4 相同或不同且选自氢、C 6 -C 14 芳基和C 1 -C 12 烷基，其未被取代或被一个或多个SH或OH基团取代；R 2 和R 3 相同或不同且选自氢、C 6 -C 14 芳基和C 1 -C 12 烷基，其未被取代或被一个或多个SH或OH基团取代，其中至少一个基团R 2 或R 3 不为氢，或R 1 和R 4 不为氢，且两个相邻基团R 1 -R 4 可以一起为C 3 -C 10 亚烷基；R 5 选自氢、C 1 -C 12 烷基、H-C＝O或C 1 -C 4 烷基-C＝O；X 1 、X 2 、X 3 和X 4 选自OH、SH和NHR 5 ，其中若R 1 -R 4 含有至少一个硫原子，则至少一个基团X 1 -X 4 为SH，以及若R 1 -R 4 不含硫原子，则至少两个基团X 1 -X 4 为SH。

The nature of the nuclear transformation could be firmly established: the aluminium atom, for example, captures the alpha particle and is transformed, after expelling the proton, into an atom of silicon .

核蜕变的性质因此得到确立。例如，铝原子俘获。粒子，并在排出质子后蜕变成硅原子。

Each emission of an alpha or beta ray accompanies the transmutation of an atom; the energy communicated to these rays comes from inside the atom.

每一次a 射线或b 射线的放射都伴随着原子的蜕变，因为赋予这些射线的能量来自于原子的内部。

It was indicated that the effect of crystal orientation on interfacial stability is because of the different atomic bond number formed in the solidification of liquid atoms on different crystal planes, which affects the decrease of system energy, and affects the effective jump frequency of liquid atom migration to solid interface and solid atom migration to liquid, and finally affects the solute distribution in the front of liquid-solid interface and composition undercooling.

研究表明，晶体取向对凝固界面稳定性的影响是由于液相原子在不同晶面结晶面上沉积时形成的原子键不同，影响了系统自由能的降低，影响了液相原子迁移至固相界面上的有效跳动频率和固相原子迁移至液相中的有效跳动频率，影响了液固相界面前沿的溶质分布和成分过冷所致。

The theoretical system for describing the structures of organic and drug molecules using 3 types of molecular electronegativity-distance is created based on various atomic types and atomic attributes. These MEDVs include MEDV-4 based on 4 atomic types and relative electronegativity and relative bond length to carbon atom, and molecular holographic distance vector based on 13 atomic types and relative bond length to carbon atom, and MEDV-13 based on 13 atomic types and atomic attributes and the modified electrotopological state index.

通过不同原子类型与原子属性划分方案，创建了3种形式的分子电性距离矢量即以4种原子类型划分方案和以碳原子为标准的相对电负性与相对键长为基础的分子电性距离矢量MEDV-4、以13种原子类型划分方案和相对键长为基础的全息分子距离矢量MHDV、以13种原子类型与43种原子属性划分方案以及修饰的电拓扑状态指数和拓扑距离为基础的分子电性距离矢量MEDV-13等3种矢量描述子表征分子结构的理论体系。

The evaporation fields of metal atoms in the STM configuration have been calculated on the base of the binding energy of the atom on the tip, the total ionization energy of the atom, surface work function, the atomic radius and tip-sample distance.

本文的理论计算表明所需的外加电场强度决定于针尖原子的结合能，原子总的离化能，表面功函数，原子直径以及针尖和样品间距等。

The chelate structure was examined by AFM scaning, single strand structure at AFM gram is Ala-Gln, two combined single strand is Ala-Gln-Zn~(2+), and atomic radius of Ala-Gln-Zn~(2+)'s conjunctive atom is about 0.24 to 0.25nm, which is near to Zn~(2+), so the conjunction atom is Zn~(2+). Thus the coordination reaction and the molar ratio 2:1 is proved again.

原子力显微扫描指出，大量出现的单一弯曲链状结构是Ala-Gln分子，而两两组合连接的链状结构，则是Ala-Gln-Zn~(2+)螯合物，且连接两个链状结构、半径约为0.25nm的中心原子是Zn~(2+)，证明Ala-Gln与Zn~(2+)形成配位比为2：1稳定螯合物。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ′(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ′(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ′(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ′(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al—Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al—Li键， Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由于Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ′(Al3Li)亚稳相的前兆结构和生长胚胎；由于Al-Li-空位有序偏聚晶胞的Al—Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ′(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由于Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

Nowadays, most of research are to build a transmutative Petri Nets through adding controlling place sets, controlling arc sets and controlling policy to the basic Petri Nets, while the Controlled Petri Nets could be used to argue many controlling theory problems conveniently and to induce many logically and physically supervisory and solve the Event Feedback Controlling Problems and State Feedback Controlling Problem in DEDS supervisory theory.

目前大多数的研究表现为在变形后的受控Petri网基础上，利用各种方法求得各种逻辑型、结构型控制器，解决DEDS监控理论中的事件反馈控制问题与状态反馈控制问题。

On one hand, there are discussions with the works council and union about extension of short time working up to the end of September.

一方面，有讨论，工程理事会和联盟关于延长工作时间短至9月底。