流动注射光度法测定地热水中可溶性硅

提出了基于正硅酸与钼酸铵的显色反应和流动注射分析装置的流动注射光度法测定地热水中可溶性硅量的方法。对仪器的各项工作参数,包括显色反应所需钼酸铵溶液的浓度及要求的酸度条件,各反应圈的长度,试剂环的定量体积,流动注射系统出口的流量等做了试验并予以优化,所提出的装置可达到每小时60个样品的进样频率。测定二氧化硅的线性范围为20~800 mg.L-1。应用此法对实样的测定结果与国家标准方法(GB/T 12148-2006)测得的结果相符。     

Rotating wheel filter design and optimization for a uniform depth dose distribution in heavy ion therapy

Treatment planning of heavy-ion radiotherapy involves predictive calculation of not only the physical dose but also the biological dose in a patient body. The goal in designing beam-modulating devices for heavy ion therapy is to achieve uniform biological effects across the spread-out Bragg peak (SOBP). To achieve this, a mathematical model of Bragg peak movement is presented. The parameters of this model have been resolved with Monte Carlo method. And a rotating wheel filter is designed basing on the velocity of the Bragg peak movement.     

Photoabsorption Spectra of （SiO2）n （n ≤ 5） Clusters on the Basis of Time-Dependent Density Functional Theory

The photoabsorption spectra of （SiO2）n （n = 2-5） clusters [including isomers （D3h, D2d） structures of （SiO2）3 and （C2v, D2h, D4h） structures of （SiO2）4] are calculated by using time-dependent density-function theory. The equilibrium geometries, the binding energy, the gap between the highest occupied and lowest unoccupied molecular orbitals and vertical ionization potential for corresponding structures are computed using several methods with different types of the basis functions. It is found that the polarizability functions are necessary for the basis functions when optimize the structures of silicon oxide clusters. For different geometries of various clusters and the related isomers, their spectra are very different. Meanwhile, the comparison between using local-density generalized-gradient approximations for exchange-correlation potentials shows that both the calculated spectra present the same spectral feature. We suggest that the calculated photoabsorption spectra could be taken as a tool to elucidate the isomers and dusters structure.     

Effect of nickel segregation on CuΣ9 grain boundary undergone shear deformations

Impurity segregation at grain boundary(GB) can significantly affect the mechanical behaviors of polycrystalline metal. The effect of nickel impurity segregated at Cu GB on the deformation mechanism relating to loading direction is comprehensively studied by atomic simulation. The atomic structures and shear responses of Cu Σ9(114) 110 and Σ9(221) 110 symmetrical tilt grain boundary with different quantities of nickel segregation are analyzed. The results show that multiple accommodative evolutions involving GB gliding, GB shear-coupling migration, and dislocation gliding can be at play, where for the 2ˉ21ˉ shear of Σ9(114) 110 the segregated GBs tend to maintain their initial configurations and a segregated GB with a higher impurity concentration is more inclined to be a dislocation emission source while maintaining the high mechanical strength undergone plastic deformation for the 11ˉ4ˉ shear of Σ9(221) 110. It is found that the nickel segregated GB exerts a cohesion enhancement effect on Cu under deformation: strong nickel segregation increases the work of separation of GB, which is proved by the first-principles calculations.     

Interaction between Dislocation and Twinning Boundary under Incremental Loading in α-Titanium

The lattice dislocation interacting with grain boundary in the polycrystal exerts an evident influence on the materials' strength and toughness. A comprehensive study regarding the dislocation-twinning boundary(TB)interaction in a-titanium and TB migration is performed by employing molecular dynamic simulation. We analyze the interactions between dislocation and TB, under the conditions of plastic deformation and thermal stress, including the interaction between pure edge(a) dislocation and(1122) TB and the interaction between mixed type(a) dislocations and(1011) TB at 10 K/300 K. The(c + a) pyramidal transmitting slip mode is motivated in the case of edge dislocation-(1122) interaction at 300 K and then transforms into basal-dissociated dislocation after experiencing the complex dissociation and combination. The basal-dissociated pyramidal partial dislocation located in the second grain can be driven to penetrate through the second grain leaving the multiple stacking faults behind. Dissociation of incident basal dislocation on(1011) TB results in a nucleation of a(1011)twin embryo in twin crystals at room temperature. We determine the nature of the generated defects by means of the Burgers circuit analysis.     

卤素官能团化的[1,2,4]三嗪并[5,6-b]吲哚-3-硫醇类化合物的合成

本文利用各种卤代的靛红为底物,与氨基硫脲在水-二氧六环(V/V,5:1)混合溶剂为反应介质,K2CO 3为碱条件下,进行缩合反应,有效合成了一系列卤素官能团化的[1,2,4]三嗪并[5,6-b]吲哚-3-硫醇类化合物.所合成的目标化合物未见文献报道,其结构均已通过谱图(1 H-NMR、13 C-NMR和MS)数据和元素...     

基于组合荷载响应特征融合的桥梁结构智能损伤识别方法

桥梁在运营过程中面临着组合荷载的复杂环境，因此发展组合荷载下的损伤识别方法具有重要意义。本文提出了一种基于组合荷载响应特征融合的桥梁结构智能损伤识别方法，基于移动主成分分析对自重静载、温度准静态荷载、动态荷载下的结构响应数据分别进行特征挖掘，并将不同荷载下第一特征向量的组合作为机器学习模型的输入，建立结构的损伤识别方法。最后，以双跨连续梁的仿真模型进行了验证，研究结果表明，即使在大噪声水平下，以组合荷载特征向量进行损伤定位和定量的准确率分别可达91.65%和97.22%,比传统的单荷载下的准确率最高分别提升了32.40%和18.00%,表现出优异的损伤检测性能和抗噪性。