在电场条件下NaCl熔体微观结构的观察

采用ＭＣ法研究了ＮａＣｌ熔体在电场作用下的微观结构，结构表明，在电极表面存在着完全不同于水溶液的双电层结构，其第一配位层为整齐排布的Ｃｌ＾－离子，第二配位层为间隙排列的Ｎａ＾＋离子，而在距电极大于２（Ｒ＋＋Ｒ－）的熔体内部仍符合Ｂｏｌｔｚｍａｎｎ分布。     

在电场条件下NaCl熔体微观结构的研究

采用ＭＣ法研究了ＮａＣｌ熔体在电场作用下的微观结构．结果表明，在电极表面存在着完全不同于水溶液的双电层结构，其第一配位层为整齐排布的Ｃｌ－离子，第二配位层为间隙排列的Ｎａ＋离子，而在距电极大于２（Ｒ＋＋Ｒ－）的熔体内部仍符合Ｂｏｌｔｚｍａｎｎ分布．     

复杂材料体系的第一原理研究

对复杂材料体系进行量子力学的从头计算一睦是材料和物理科学重要方向。采用密度泛函理论和第一原理赝势法,我们对经下一些复杂的体系进行了研究,包括：1）计算了铝中锂,硅,镁等重要杂质的形成能,说明了这睦杂质形成替位的可能性;2）研究了过渡金属W,Mo和Nb（001）表面在外加电场下的表面基态结构的改变。发现了W（001）和Mo（001）表面的基态结构随着电场的增强而相变,而Nb(001）表面的结构却不会改变;3）从第一原理的角度研究了由Al12X(X=C,Si,Ge)原子集团构成晶体的可能性,指出通过A112X集团立方密堆积的方法来构造半导体是不合适的;4）计算了一系列过渡金属在Al(001)表面上的吸附,发现Pt,Au吸附时的：“反常”功函数变化行为。     

电场下应变层量子阱AlN／GaN（001）的子带结构

采用有效质量理论６带模型，研究了电场下应变层量子阱ＡｌＮ／ＧａＮ（００１）的价带子能带结构．具体计算了价带子能级的色散曲线，分析了电场和应变效应对子能带的影响．还计算了不同电场和不同阱宽的空穴子能级．     

新型PB-PSOI器件表面电场和温度分布模型研究

根据泊松方程和热扩散方程提出了新型PB-PSOI 器件漂移区的二维表面电场分布模型和温度分布模型,模型计算结果与Medici模拟结果相一致。根据所提出的模型,重点研究了埋氧化层厚度及长度对漂移区表面电场分布和温度分布的影响,最后给出了PB-PSOI 器件的埋氧化层厚度和长度的优化设计方法。     

大型电机线棒端部电场的有限元计算方法

由于大型电机定子线棒端部电场分布不均,造成防晕层表面易产生电晕和热老化现象。采用有限元弱解形式与多场建模相结合的方法,对大电机定子线棒端部防晕层电场及损耗密度分布进行了数值计算,并与阻容链算法进行了对比。结果表明,该算法能够避免阻容链方法所导致的算法误差,提高求解准确性;亦能有效解决传统有限元方法的建模及边界设定困难等问题,提高求解效率及精度;其防晕层损耗密度分布与电晕实验中的发热状况一致。该算法能满足具有多段非线性防晕结构的三维定子线棒端部电场计算的工程需要,可作为计算防晕结构及材料参数的理论依据,并为进一步建立优化计算模型提供基础。此外,该算法为存在表面电阻率的有限元电场计算提供思路。     

电场对极性半导体表面（或界面）极化子行为的影响

采用电子动量和坐标的线性组合算符方法对电场中的极性半导体表面（或界面）极化子行为进行了研究。当电场较弱时（１０４Ｖ／ｍ以下），表面（或界面）极化子的基态能量和有效质量随电场增加而线性地减小，但其影响甚小，在中等强度的电场下（１０４～１０５Ｖ／ｍ），电子－声子间的耦合逐渐减弱，电子－电场相互作用逐渐增强，体现在表面（或界面）极化子的基态能量和有效质量更加明显地减小。当电场高于某一极限电场时，电子成为准自由电子。     

CO在NiO（100）表面吸附的DV—Xα研究

采用ＳＣＣ－ＤＶ－Ｘα嵌入簇模型方法，研究了ＣＯ／ＮｉＯ（１００）吸附体系。比较表面电场作用与轨道作用对ＣＯ性质的影响，并考虑到ＢＳＳＥ校正，对ＣＯ在ＮｉＯ（１００）面上的吸附行为有了较深入的认识。计算结果表明，ＣＯ以Ｃ端垂直吸附阳离子吸附位；Ｏ与表面的作用主要为静电作用，表面电场作用是使得吸附态ＣＯ的ＩＲ峰蓝移的原因。     

6B1细胞的低频弱电磁场效应研究

以小鼠６Ｂ１骨髓瘤细胞为效应靶细胞,采用细胞化学（ＭＴＴ）,免疫酶标（ＥＬＩＳＡ）等方法,研究了低频弱电磁场对６Ｂ１细胞代谢的影响。结果表明：（１）１ｍＶ／ｃｍ的低频电场（１０～１００Ｈｚ）对６Ｂ１细胞的增殖无明显作用,而１ｍＶ／ｃｍ,５０Ｈｚ电场对６Ｂ１细胞乙肝表面抗体的分泌有显著促进,提示在此条件下电场对６Ｂ１细胞膜的外侧存在某种特异性作用;（２）０．８Ｔ、３０Ｈｚ的弱磁场对６Ｂ１细胞的增殖有     

CO在NiO（100）表面吸附的DV－Xα研究

采用ＳＣＣ－ＤＶ－Ｘａ嵌入簇模型方法，研究了ＣＯ／ＮｉＯ（１００）吸附体系。比较表面电场作用与轨道作用对ＣＯ性质的影响，并考虑到ＢＳＳＥ校正，对ＣＯ在ＮｉＯ（ｌ００）面上的吸附行为有了较深入的认识。计算结果表明：ＣＯ以Ｃ端垂直吸附于表面阳离子吸附位；ＣＯ与表面的作用主要为静电作用，表面电场作用是使得吸附态ＣＯ的ＩＲ峰蓝移的主因。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

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