计算

Concretely speaking, using the irreducible tensor theory, we deuced the formulism for fine-structure energies of boron-like atoms in the ground and first excited states, which involves spin-orbit, spin-spin and spin-other-orbit interactions; completing all the angular integrations and spin summations needed, we make the final expression for fine-structure energies of boron-like atoms in the ground and first excited states in a combination of radial integrations. Afterwards, employing the wave functions we got in Chapter Three, we accomplished all the radial integrations and so obtained the fine-structure energies.

具体地说，利用不可约张量理论导出了类硼离子基态以及第一激发态的精细结构的表达式，给出了自旋-轨道、自旋-自旋、自旋-其它轨道相互作用等所涉及的所有角向积分和自旋求和的解析计算方法，完成了角向积分、自旋求和的计算，使类硼离子基态以及第一激发态精细结构能级最终可以表示为径向积分之和；在此基础上利用以前所得到的非相对论性波函数，进一步完成了所有径向积分的计算，从而得到了对应能级的精细结构的理论计算值。

In order to testify our whether correction to Rossi's exchange term andthe potential of electron and nucleus is reasonable, we calculate 〓 moleculeelastic differential scattering cross section by electron impact on 100eV, ourresult is obviously better than Rossi's. Then we calculate elastic differentialscattering cross section at 150eV. In order to check the program thatcalculates molecule excitation cross section by electron impact, we calculatehydrogen excitation cross section from ground state to 〓 state at 20eVand 30eV, oxygen excitation cross section from ground state to 〓 state at15eV and 20eV. These calculations are in agreement with other theoreticresults, and experiment measure. Finally, we calculate sulfur moleculeexcitation〓 cross section by electron impact at5eV,7eV,9eV, 11eV, 13eV,15eV, and draw curve of excitation total crosssection corresponding to incident electron energy.

为了核对我们修改的计算激发态的程序是否正确，计算了电子与氢分子碰撞从基态激发到〓态入射能量分别为20eV和30eV时的微分截面以及电子与氧分子碰撞从基态激发到〓态入射能量分别为15eV和20eV时的微分截面，与别人的理论计算结果、实验的测量值基本一致，最后计算了电子与硫分子在5eV、7eV、9eV、11eV、13eV、15eV时的碰撞激发〓截面，作出了电子的入射能量与激发总截面的关系曲线，找出了总截面最大时对应的电子入射能量大约是11电子伏。

In the single crystal of C60 with a FCC structure,positron mainly appears outside the C60 molecule.The main annihilation space is the interspace between molecules.The calculated positron bulk lifetime in C60 is 352ps, which agrees with experiment value of 356ps in literature.In carbon nanotube bundles with different dimeters,as the diameter of carbon nanotubes increases,the main space where positron appears changes from the interspace of carbon tubes to the space inside carbon tubes,the radio between positron annihilation with valence eletrons and core eletrons becomes larger,the positron bulk lifetime in carbon nanotube increase rapidly first and come to be a constant at the end.The calculated positron lifetime of carbon nanotube with a dimeter of 0.8～1.6ns is 332～470ps,which agrees with the experiment value of 394ps.Positron annihilation has been studied in widly used compound semiconductors.

计算结果表明：在片层结构的石墨晶体中，正电子主要在石墨层间的空隙中湮没，计算出的石墨中的正电子寿命为208 pS，与文献中的实验结果215 ps符合很好；在金刚石单晶中，正电子主要在碳原子之间的空隙中存在并发生湮没，计算出的金刚石中的正电子寿命为115 ps，文献中的实验结果110 ps左右符合；在面心立方结构的C60晶体中，正电子主要在C60分子球壳内外侧及分子之间存在，C60球形分子中心正电子分布很少，正电子的湮没区域集中在C60分子之间的空隙区域，计算出的C60中的正电子寿命为352 ps与文献中的实验结果356ps相符合；对于不同管径碳米管束中的正电子分布，随着碳纳米管直径的增加，碳纳米管束中的正电子由主要在碳纳米管管间的区域出现转变为主要在碳纳米管管内中心的区域出现：碳纳米管束中的正电子与碳原子的价电子的湮没概率变得越来越大，与核心电子的湮没概率变得越来越小；碳纳米管束中正电子的湮没寿命先迅速增大，而后趋于一定值。

This paper compares the computing results of the one-way coupling method and two-way coupling method, and the result indicates that the one-way coupling method is applicable when the mass and momentum ratio of the discrete phase in the turbulence flow velocity field is small in the chamber.

文中对采用单向耦合和双向耦合计算方法的计算结果进行了比较，结果表明炉内离散相在流场中的质量及动量承载率较低时，单向耦合计算方法适用于研究对象的冷态流场计算。

It is that:(1) the related compounds in Metronidazole Buccal Tablets prepared by Chongqing Medical College can be tested by determining (321nm) the total peak area of the impurities;(2) The related compounds in Metronidazole Disodium Phosphate for Injection prepared by Chongqing Medical College can be test by determining (254nm) the total peak area of the impurities and the peak area of the largest impurity;(3) Ceftriaxone polymer in Ceftriaxone Sodium for Injection prepared by Chongqing Keru Pharmacy Co.

结果如下：①用HPLC一UV法，在321nm处检测，用归一化法计算，控制各杂质峰面积的和，可检查重庆医科大学的注射用甲硝吟磷酸二钠中的有关物质：②用HPLC一UV法，在254nm处检测，控制杂质峰面积的和及控制最大杂质峰面积，可对重庆科瑞制药股份有限公司的注射用头饱曲松钠中的有关物质实施控制；③用HPLC一Uv法，在254nm处检测，按外标法计算，可检查注射用头抱曲松钠中的聚合物；④用紫外分光光度法，在277nm波长处测定吸收度，按C6H9N303的吸收系数为377计算每片标示百分含量，可测定重庆医科大学的甲硝哇口颊片的含量均匀度；⑤用紫外分光光度法，在277run波长处分别测定释放溶液20min、50min和90min的吸收度，按甲硝哇(C6H剥303)的吸收系数为377计算释放度，可检查重庆医科大学的甲硝哇口颊片的释放度。

Polynomial fitting was used to map out the pressure distribution curve of numerica...

与通过试验数据计算出的结果相比，数值模拟计算出来的轴向力相对误差在9%以内，而经验公式计算的轴向力相对误差为14%，采用数值模拟方法计算轴向力具有更高的精度，对多级离心泵轴向力平衡的研究具有指导意义。

The main contributions of this dissertation are In chapter 2, we propose a scientific visualization system modal which is based on large-format display technology and Client-Commware-Server structure. In chapter 3 and chapter 4, we accomplish two large-scale scientific visualization systems. In chapter 5 and chapter 6, we propose HFFT on hexagon and parallel dodecahedron domains, and reduce the computational complexity from O and O to O and O . Lastly, we propose a parallel HFFT on distributed memory computers.

本文的主要贡献如下：提出了使用大屏幕显示技术、适用于大规模科学计算可视化系统的Client-Commware-Server模型；实现了油藏数值模拟和分子模拟两个大规模科学计算的可视化系统；给出了二维三方向六边形区域、三维四方向十二面体区域上的HFFT算法，将变换的计算复杂度分别从直接计算的O和O量级降到了快速算法的O和O量级；最后，本文给出了一种基于分布式存储的并行HFFT算法，并对影响、提高并行算法的若干因素进行了分析。

This course, which discusses elementary of computational number theory, includes the following subjects:(1) Fundamental properties of Integers;(2) Congruences;(3) Congruent equations;(4) Legendre and Jacobi symbols;(5) Primitive roots;(6) Primality testing and factorization;(7) Index computation and discrete logarithm computation;(8) Other computational problems.

本课程将讨论计算数论的基本知识，主要包括以下内容：(1)整数基本性质；(2)同余；(3)同余式；(4) Legendre和Jacobi符号；(5)原根；(6)素性测试和大数分解；(7)指数计算和离散对数计算；(8)其他计算问题。

Within this context, four specific areas are addressed:(1) By means of finite integration technique, a new kind of the first order partial difference equation is derived from the original disperse transmission line equation of the uniform waveguide's. As it is the kind of one dimension Dirichlet's boundary problem, it is convenient for us to solve this equation from the leapfrog scheme. Because computation is carried out in one dimension, both high calculation efficiency and precision have been obtained in this method. Meanwhile, this method provide us a different selection to simulate the transient response of waveguide with non-simplical, for examples cylinder and elliptic waveguide, and avoid solving the second order equation, or using finite difference time domain to simulate a three dimension problem, sometimes the latter precision is not satisfied with the need, or low efficiency.

在这一研究内容下，主要研究四个方面的问题：(1)在完成金属波导传输线方程时域形式的基础之上，应用有限积分技术，把波导特征模式的色散传输线方程，化简为一组新的一阶偏微分方程组，该边值问题属一维Dirichlet边值问题，从而便于用蛙跳格式求解，由于是在一维中计算，该方法具有很高计算效率和精度，从而避免了以往为得到金属波导中特征模的时域响应特性，须要求解二阶方程，或用时域有限差分方法求解三维问题的方法，对于后者来说，计算有时是不准确的，或是很耗时的例如计算诸如圆波导、椭圆波导等其它复杂形状的波导。

In the third part, the theory of thrust angle and unbalanced forces is studied andapplied to Xiluodu arch dam. some conclusions are obtained :(1) The thrust angle issmaller by elaso-plastic computation than elastic computation. For the non-linearcomputation, the thrust angles at different elevations all increase during overloading,which reveals the internal mechanism of good performance of arch dam in conditionof overloading;(2) The elaso-plastic theory always minimizes the actual unbalancedforces in the sense of a condition number in the norm ofcomplementary energy.

第三部分，通过对溪洛渡拱坝拱端推力角及不平衡力的研究，得出如下结论：(1)非线性计算较弹性计算的推力角大；对于非线性计算而言，拱坝超载过程中各高程段的推力角均有所增加，这反映了拱坝具有较高超载能力的内在机制；(2)在总余能范数的意义上，按弹塑性本构关系确定的不平衡力或加固力是最小的，弹塑性计算确定的加固力和真解相比偏于安全。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。