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王芳  张建民  薛红 《物理学报》2013,62(13):133401-133401
用多体势结合分子动力学计算了L12型NiAl3, L12型Ni3Al, L10型NiAl和B2 型NiAl的晶格常数, 结合能以及合金形成热; 分析了结构性点缺陷在上述四种合金中的存在形式; 在此基础上研究了合金化元素Mo, Ta, W在NixAl1-x(x=0.25,0.5,0.75)中的择优占位行为. 计算结果表明: 对于四种结构的Ni-Al合金, 偏离理想化学配比时,主要的结构缺陷形式是反位置; 根据占位能最小化, 第三组元元素Mo, Ta, W在上述四种Ni-Al中都显著优先占据Al格位. 关键词: 多体势 Ni-Al合金 占位  相似文献   
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In this paper,the self-regeneration process of the mixed resins consisting of cation and anion ion exchangers in the electrolialyser of the packed bed is analyzed,and an electric regeneration method is put forward to supply the desalinated water by mixed bed.The electric regeneration technology is a new one used for regeneration of the exhausted ion exchangers in the mixed bed,instead of the traditional regenerating process by using acid and alkali liquor.Electric energy is consumed to regenerate the ion exchangers loaded by salts from water treatment without any chemicals-acid and alkali.The advantage of the electric regeneration process exhibited convenient operation,no discharge any waste,and therefore no pollution to the receiving water body and the environmental ground.  相似文献   
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范晓春  王芳  李祥春  陈垚  赖文勇  黄维 《有机化学》2014,(10):2027-2034
设计合成了两种以p型苯基咔唑为核,n型苯并噻二唑衍生物为臂的p-n多臂结构共轭分子S1和S2.通过1H NMR,13C NMR,GC-MS/MALDI-TOF等表征了其化学结构,研究了其光物理性质、热力学性质、电化学性质及其电子结构等,并作为活性材料应用于制备有机太阳能电池器件.实验结果表明所得的p-n多臂结构共轭分子表现出良好的溶液加工性、较宽的光谱吸收、较窄的能隙和较高的开路电压等特性.  相似文献   
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A unique fluorescent-magnetic hybrid bimodal nanocomposite was prepared by the layer-by-layer self-assembly (LbL) technique fabrication of water-soluble conjugated polymers (CPs) onto the CoFe2O4@SiO2 core-shell nanoparticles (NPs). First, magnetic CoFe2O4 nanoparticles were prepared as the magnetic core and coated with a SiO2 shell to obtain a good dispersion in aqueous solution. Then the polyelectrolytes and cationic conjugated polymer PFV was assembled onto the surface of core-shell nanoparticles by the LbL technique. The prepared nanocomposites were magnetically responsive and fluorescent, simultaneously. Finally, the biomacromolecule heparin sodium (HS) was then assembled on the outer layer of the nanocomposite to provide a cytocompatible surface. The nanocomposites show monodispersity, good fluorescence and good biocompatibility that are useful for efficient cellular imaging. Moreover, the colloidal stability and the cellular uptake ability of the nanocomposition with HS layer were efficiently improved.  相似文献   
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