初道屏蔽效应对低能电子碰撞H(e,2e)反应的影响

考虑初道屏蔽效应,研究了低能电子碰撞H(e,2e)的反应过程.计算了共面非对称几何条件下能量为27.2 eV的入射电子碰撞H(e,2e)反应的三重微分截面(TDCS),将其计算结果与3C、DS3C和CDS3C模型所得结果及实验数据进行了比较,结果表明CDS3C模型能对上述碰撞过程成功描述,改善了与实验结果的符合程度.     

面向气候变化的复杂地球系统建模与模拟探索(上)*

地球是开放系统的集合，在现实世界中，任何取自于地球的模拟对象皆包含着耗散与回递的因子，所以它们亦是非线性的。非线性方程式基本上无解，这就是建模与数字化面临的难题。因此本文给出系统的严谨数学定义与其参数，透过自动化模式、线性机械线路、形式语言与其等价的文法规则及混沌系统理论，直接以时空拓扑结构及回递函数、量子方程式与化学反应式之本质，取代偏微积分方程式，以非线性离散数学直接描述所有取自于地球的模拟对象，令数字化模式与模拟对象一致，以解决建模问题，更为科学打开通往数学物理化的门扉，进而从根本上消弭数学与物理间不一致的基础危机。     

Fabrication of an r-Al2Ti intermetallic matrix composite reinforced with α-Al2O3 ceramic by discontinuous mechanical milling for thermite reaction

In this study, a powder mixture with an Al/TiO2 molar ratio of 10/3 was used to form an r-Al2Ti intermetallic matrix composite (IMC) reinforced withα-Al2O3 ceramic by a novel milling technique, called ...     

Fe3O4表面逆水煤气反应的DFT研究

采用密度泛函理论（DFT）研究了Fe3O4（111）表面逆水煤气反应的机理（氧化还原机理和中间产物分解机理）。通过优化初始构型,得到了最稳定的吸附构型。对两种机理主要的基元反应活化能进行了比较,结果表明：氧化还原机理是主要的反应机理,中间产物分解机理较难发生。计算结果还表明八面体Fe原子在吸附和活化过程中起着重要作用。     

无溶剂条件下SbCl3催化合成二氢嘧啶酮衍生物

用SbCl₃作催化剂, 无溶剂条件下合成了一系列二氢嘧啶酮衍生物，确定了反应的最佳条件为芳香醛、β-二羰基化合物和尿素的摩尔比为1∶1∶1.5，催化剂用量为芳香醛的10%，最佳温度为70℃。探讨了反应机理。此方法收率高、反应时间短、操作简便。     

Microstructure and properties of in-situ synthesized Cu-1 wt%TiC alloy followed by ECAP and post-annealing

A dispersion-strengthened copper alloy with 1 wt% TiC for commercial electrical-contact wires was prepared by in-situ reaction casting, grain-ultrafining by equal-channel angular pressing (ECAP) and subsequent annealing with aim to obtain excellent comprehensive performance. The results showed that fine TiC particles were in-situ synthesized in the as-cast Cu matrix and aggregated in clusters, and thus mechanical properties of the as-cast alloy deemed insufficient. Continued ECAP at 473 K significantly refined the grains of the as-cast alloy and improved the distribution of TiC particles. Due to multiple strengthening mechanisms, the ECAP-processed alloys maintained good conductivity with obviously enhanced tensile strength and hardness values. After post-ECAP annealing, the elongation and conductivity of the fine-grained copper alloy increased with the adequate tensile strength. The novel combined process endows the alloy appropriate performance to serve current high-frequency electrification railway systems.     

Al熔体与非晶SiO2的扩散反应动力学

利用SiO2玻璃尺寸大的特点,研究了Al与SiO2玻璃反应组织和反应动力学.实验发现,长时间反应可以得到Al/Al2O3复合组织,在Al熔体和Al/Al2O3复合组织间存在扩散过渡层.测定了扩散过渡层和Al/Al2O3复合层的生长动力学.分析了扩散过渡层的动力学规律.讨论了Si对扩散过渡层和复合层形成动力学的影响, 发现Al/Al2O3复合层形成的抛物线动力学特征.     

利用PCR-DGGE技术鉴定硝基甲苯类物质降解菌株

为鉴定光催化-厌氧好氧固定化微生物方法降解2,6-DNT和4-MNT的优势菌株,取连续运行40d的厌氧好氧反应器出入口的微生物样品.采用PCR-DGGE技术分离微生物,得到对2,6-DNT和4-MNT具有良好降解特性的优势菌种;发现厌氧反应器内不同位置微生物种类差别很大,好氧反应器内差别很小;反应器内有5种优势菌株:Delta proteobacterium,Pseudomonas stutzeri,Pseudomonas trivialis,Burkholderia cenocepa-ciaand Chryseobacterium sp.AKB-2008-VA6和1个未知菌株,以兼性厌氧和好氧方式生存.反应器运行期间,水质指标良好.     

吡唑并嘧啶衍生物的合成及其生物活性研究

设计合成了新型吡唑并嘧啶衍生物3,6-二烷硫基-1-苯基-吡唑并[3,4-d]嘧啶-4-酮的6个衍生物,其中4个获得大于70%的产率.应用1H NMR和IR对其结构进行了分析与确证.对所合成的产物进行了初步的除草活性试验,在质量分数为1×10-4时,合成产物对稗草的茎、油菜的根茎都显出较好的抑制作用.     

Parametric effects on the combustion flow field of a typical strut-based scramjet combustor

The flame-holding mechanism in hypersonic propulsion technology is the most important factor in prolonging the duration time of hypersonic vehicles.The two-dimensional coupled implicit Reynolds-averaged Navier-Stokes equations,the shear-stress transport k-ω turbulence model and the finite-rate/eddy-dissipation reaction models were used to simulate the combustion flow field of a typical strut-based scramjet combustor.We investigated the effects of the hydrogen-air reaction mechanism and fuel injection temperature and pressure on the parametric distributions in the combustor.The numerical results show qualitative agreement with the experimental data.The hydrogen-air reaction mechanism makes only a slight difference in parametric distributions along the walls of the combustor,and the expansion waves and shock waves exist in the combustor simultaneously.Furthermore,the expansion wave is formed ahead of the shock wave.A transition occurs from the shock wave to the normal shock wave when the injection pressure or temperature increases,and the reaction zone becomes broader.When the injection pressure and temperature both increase,the waves are pushed out of the combustor with subsonic flows.When the waves are generated ahead of the strut,the separation zone is formed in double near the walls of the combustor because of the interaction of the shock wave and the boundary layer.The separation zone becomes smaller and disappears with the disappearance of the shock wave.Because of the horizontal fuel injection,the vorticity is generated near the base face of the strut,and this region is the main origin for turbulent combustion.