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一种用于判断ABm型分子结构的程序胡乔生刘小明(赣南师范学院化学系江西赣州341000)用价层电子对互斥理论预测分子的结构是无机化学教学比较感兴趣的问题之一。不少文献介绍了这方面的教学经验[1~4]。实践中我们发现,学生在应用该理论处理一些比较简单和... 相似文献
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A novel compensation method for temperature-dependent gain tilt of L-band erbium-doped fiber amplifier (L-EDFA) is proposed, in which the attenuation between stages is the only parameter to be adjusted. A simple linear relationship between the attenuation and the erbium fiber coil temperature was derived theoretically. When the erbium fiber coil temperature cycles from 26 to 70℃, the gain tilt variation less than 0.3 dB is achieved experimentally by adjusting only the pre-inserted variable optical attenuator (VOA). 相似文献
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二铁六羰基配合物[Fe2(μ-SCH2R)2(CO)6](R=CH (OH) CH2(OH),1)是一个水溶性且能够释放一氧化碳的分子(CORM),我们应用各种光谱技术研究了其与血红蛋白(Hb)、肌红蛋白(Mb)、牛血清白蛋白(BSA)、谷胱甘肽(GSH)和DNA等生物分子的相互作用。红外光谱结果表明,蛋白质和谷胱甘肽均能促进配合物1分解释放CO。该CO释放过程符合一级动力学模型,其中谷胱甘肽促进CO释放的效率最高。紫外吸收光谱变化和荧光猝灭效应也表明这些生物相关分子与二铁羰基配合物之间存在相互作用。蛋白质和配合物1的CD光谱结果显示,配合物没有引起蛋白质的构象变化。pUC19质粒DNA与配合物1之间的作用表明该配合物不会引起DNA损伤。 相似文献
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全氟辛烷磺酸(Perfluorooctane sulfonate,PFOS)作为环境中最典型的全氟化合物之一,具有持久性、毒性及在生物体内积累等效应。发展快速、灵敏检测环境介质中PFOS的分析方法具有重要意义。本研究以PFOS为模板分子,N,O-双(三甲基硅烷基)三氟乙酰胺为功能单体,设计合成了具有介孔结构的表面分子印迹荧光探针NH2-UCNPs@MIPs。PFOS可通过F-F与静电相互作用与NH2-UCNPs@MIPs结合,导致其荧光猝灭,基于此建立了水溶液中PFOS(0.01~15 nmol/L浓度范围内)的高效识别和高灵敏检测技术,并实现了在酸性和中性条件下,对环境水样和人血清基质样品中痕量PFOS的检测。本研究为复杂基质中PFOS的快速检测提供了参考。 相似文献
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Inhomogenous Dislocation Nucleation Based on Atom Potential in Hexagonal Noncentrosymmetric Crystal Sheet 下载免费PDF全文
By introducing internal degree, the deformation of hexagonal noncentrosymmetric crystal sheet can be described by the revised Cauchy-Born rule based on atomic potential. The instability criterion is deduced to investigate the inhomogeneous dislocation nucleation behavior of the crystal sheet under simple loading. The anisotropic characters of dislocation nucleation under uniaxial tension are studied by using the continuum method associated with the instability criterion. The results show a strong relationship between yield stress and crystal sheet chirality. The results also indicate that the instability criterion has sufficient ability to capture the dislocation nucleation site and expansion. To observe the internal dislocation phenomenon, the prediction of the dislocation nucleation site and expansion domain is illustrated by MD simulations. The developed method is another way to explain the dislocation nucleation phenomenon. 相似文献
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The optical carrier suppression in optical quadruple frequency modulation by cascaded external modulators is investigated theoretically and experimentally. Theoretical analysis demonstrates that the optical carrier suppression ratio is related with not only the initial phase difference of electrical signals applied on the two modulators, but also the optical phase shift between the two modulators. The maximum suppression ratio can be achieved when the total phase difference is equal to nπ+π/2 (n = 1, 2,…), which is verified by experiments. By properly controlling the total phase shift, 40-GHz millimeter-wave is generated by using a 10-GHz radio frequency (RF) source and the modulators. 相似文献
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Theoretical Strength of Face-Centred-Cubic Single Crystal Copper Based on a Continuum Model 下载免费PDF全文
The constitutive relation of single crystal copper based on atomistic potential is implemented to capture the nonlinear inter-atomic interactions. Uniaxial loading tests of single crystal copper with inter-atomic potential finite-element model are carried out to determine the corresponding ideal strength using the modified Born stability criteria. Dependence of the ideal strength on the crystallographic orientation is studied, and tension- compression asymmetry in ideal strength is also investigated. The results suggest that asymmetry for yielding strength of nano-materials may result from anisotropic character of crystal instability. Moreover, the results also reveal that the critical resolved shear stress in the direction of slip is not an accurate criterion for the ideal strength since it could not capture the dependence on the loading conditions and hydrostatic stress components for the ideal strength. 相似文献
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本文采用分子动力学方法研究了在剪切载荷作用下,Cu(100)扭转晶界对Cu柱屈服强度的影响.模拟结果发现,在加载过程中,低角度扭转晶界形成的位错网发生位错形核与扩展,位错之间的塞积作用提高了Cu柱的屈服强度;对于高角度扭转晶界,晶界发生滑动降低了Cu柱的屈服强度.同时发现,随着扭转角度的增加,Cu柱的屈服强度先增大,当扭转角度大于临界角度时,Cu柱的屈服应力逐渐减小.这表明剪切载荷作用下,两种不同的机理主导Cu柱的屈服,对于小于临界角度的扭转晶界,Cu柱的屈服由晶界位错形核和扩展机理主导,对于大于临界角度
关键词:
扭转晶界
分子动力学
位错形核
晶界滑移 相似文献