使用MATLAB绘制原子轨道和电子云图形

绘制原子轨道和电子云图形是量子化学、结构化学研究和教学的重要内容。以氢原子为例，以MATLAB为程序开发语言，设计了一种精确、快速、简便地绘制原子轨道和电子云图形的应用程序。介绍了该程序设计的过程，给出了源程序和运行结果示例，并讨论了MATLAB的三维球坐标图形、四维图形的绘制技术。研究结果表明MATLAB是解决结构化学数值计算和数据可视化问题的一种非常有效的工具。     

Survey of nitrate and nitrite contents of vegetables grown in Korea.

A scientific basis for the evaluation of the risk to public health arising from excessive dietary intake of nitrate in Korea is provided. The nitrate () and nitrite () contents of various vegetables (Chinese cabbage, radish, lettuce, spinach, soybean sprouts, onion, pumpkin, green onion, cucumber, potato, carrot, garlic, green pepper, cabbage and Allium tuberosum Roth known as Crown daisy) are reported. Six hundred samples of 15 vegetables cultivated during different seasons were analysed for nitrate and nitrite by ion chromatography and ultraviolet spectrophotometry, respectively. No significant variance in nitrate levels was found for most vegetables cultivated during the summer and winter harvests. The mean nitrates level was higher in A. tuberosum Roth (5150 mg kg(-1)) and spinach (4259 mg kg(-1)), intermediate in radish (1878 mg kg(-1)) and Chinese cabbage (1740 mg kg(-1)), and lower in onion (23 mg kg(-1)), soybean sprouts (56 mg kg(-1)) and green pepper (76 mg kg(-1)) compared with those in other vegetables. The average nitrite contents in various vegetables were about 0.6 mg kg(-1), and the values were not significantly different among most vegetables. It was observed that nitrate contents in vegetables varied depending on the type of vegetables and were similar to those in vegetables grown in other countries. From the results of our studies and other information from foreign sources, it can be concluded that it is not necessary to establish limits of nitrates contents of vegetables cultivated in Korea due to the co-presence of beneficial elements such as ascorbic acid and alpha-tocopherol which are known to inhibit the formation of nitrosamine.     

海洋钻井液有机物添加剂生物降解性评价

随着海洋石油的勘探开发，钻井液有机添加剂不可避免地进入海洋．因此在海洋勘探开发过程中应选择环保性能好，即生物降解性能好的有机物添加剂。用累计耗氧量法测定了海洋钻井液有机添加剂的生物降解性，研究评价了有机添加剂的生物降解规律和机理，探讨了有机物生物降解性同其化学结构的内在联系，为海洋勘探开发过程中选择环保性能好的有机物添加剂提供理论依据。总结实验结果发现：淀粉类(如DFD-140和FI-E1等)最容易生物降解；其次是纤维素类(如MV-CMC等)和烯类单体聚合物(如PAM和PHP)；而沥青类、两性离子类则难以生物降解，有的甚至对生物降解起抑制作用。     

A new type of polymer-polymer PVC systems with surface layers converted into hydroxyethylcyclam nanofilms of the type “hard coating on soft substrate”

With the aim of classifying PVC materials in which surface layers are converted into interpenetrated network cyclam nanofilms among polymer-polymer systems, comparative studies of their properties were carried out with consideration for the specific conditions for the preparation of the material. The density and structures of near-surface layers, the bulk ratio of the ordered and disordered forms, the dynamics of swelling in water, and the effective partial volume occupied by water molecules were studied for PVC plates prior to and after hydrothermal treatment. The conversion of the surface layers changes the structural self-organization of PVC: the polymer structure becomes more compact and ordered both in the area adjacent to the nanofilm and in the polymer bulk, which is characteristic of systems of the type “hard coating on soft substrate”. Original Russian Text ? A.Ya. Fridman, E.M. Morozova, A.Yu. Tsivadze, N.P. Sokolova, I.I. Bardyshev, A.M. Gorbunov, O.P. Shapokhina, 2007, published in Zashchita Metallov, 2007, Vol. 43, No. 5, pp. 498–502.     

基于运动矢量分布特征的半像素快速搜索算法

针对MPEG-4视频编码中半像素全搜索方法运算量较大的缺点,提出一种基于运动矢量分布特征的快速半像素运动矢量搜索算法。试验表明最佳半像素运动矢量的分布具有一定的规律,即大多数的运动矢量分布在水平或垂直两个共扼方向上。因此在满足一定条件的前提下水平和垂直方向上的运动矢量被优先搜索,其次搜索其余的点。仿真结果表明本算法可以使半像素平均搜索点数减少71%,而编码质量和码流长度并没有明显降低或增加。     

生烃化学动力学在川东北普光气田的应用

普光气田是四川盆地近期发现的规模最大、埋藏最深、资源丰度最高的气田。通过认识普光气田各个烃源岩层的贡献量、生烃关键期与构造演化的关系、油气成藏具体模式等，建立生烃化学动力学模型、标定参数，结合地区烃源岩参数和地史、热史资料，定量描述该地区的生烃过程及油裂解成气过程。认为：普光地区的主力烃源岩为下志留统泥岩；主要干酪根生油期为早二叠世末到早三叠世末期（距今286Ma至240Ma）；主要干酪根生气期为中三叠世（距今240Ma至230Ma）；主要气源是原油后期热裂解气，原油裂解成气的时间比较晚，主要油裂解成气期为早白垩世（距今144Ma至97．5Ma），从而决定了普光气田的成藏模式为“多期成藏，油气转化，晚期定位”。图2表3参33     

Stability analysis of network-based cooperative resource allocation strategies

Resource allocation involves deciding how to divide a resource of limited availability among multiple demands in a way that optimizes current objectives. In this brief paper we focus on one type of distributed resource allocation problem where via an imperfect communication network multiple processors can share the load presented by multiple task types. We introduce asynchronous “cooperative” resource allocation strategies, and show that they lead to a bounded cumulative demand.     

Nonpathological Lyapunov functions and discontinuous Carathéodory systems

Differential equations with discontinuous right-hand side and solutions intended in Carathéodory sense are considered. For these equations, sufficient conditions which guarantee both Lyapunov stability and asymptotic stability in terms of nonsmooth Lyapunov functions are given. An invariance principle is also proven.     

Finding feasible mold parting directions using graphics hardware

We present new programmable graphics hardware accelerated algorithms to test the 2-moldability of geometric parts and assist with part redesign. These algorithms efficiently identify and graphically display undercuts as well as minimum and insufficient draft angles. Their running times grow only linearly with respect to the number of facets in the solid model, making them efficient subroutines for our algorithms that test whether a tessellated CAD model can be manufactured in a two-part mold. We have developed and implemented two such algorithms to choose candidate directions to test for 2-moldability using accessibility analysis and Gauss maps. The efficiency of these algorithms lies in the fact that they identify groups of candidate directions such that if any one direction in the group is undercut-free, all are, or if any one is not undercut-free, none are. We examine trade-offs between the algorithms' speed, accuracy, and whether they guarantee that an undercut-free direction will be found for a part if one exists.     

Mathematical simulation of the viscous properties of concentrated suspensions

A mathematical model for calculating the viscous properties of concentrated suspensions characterized by particle sizes of 30 to 800 µm), solids volume fractions of 1 to 70 vol %, different particle-size distributions, and a shear-rate range of 0.16 to 437 s^?1, which can describe the time evolution of the properties, is proposed. The model can be applied to calculating the viscous properties of catalyst oxide pastes, particulate-filled polymeric pastes, and the like.